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1-(4-fluorophenyl)-2-(1-pyrrolidinyl)-1-Hexanone

CAT: 0572-TRC-F121310-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F121310-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2230706-09-7
Synonyms
1-(4-fluorophenyl)-2-(1-pyrrolidinyl)-1-Hexanone; 1-Hexanone, 1-(4-fluorophenyl)-2-(1-pyrrolidinyl)-; 4'-Fluoro-α-pyrrolidinohexanophenone; 1-(4-Fluorophenyl)-2-(pyrrolidin-1-yl)hexan-1-one; 4F-PHP
Hazard Statement
No Data Available
Smiles
CCCCC(N1CCCC1)C(=O)c2ccc(F)cc2
Molecular Formula
C16 H22 F N O
Molecular Weight
263.35
InChI
InChI=1S/C16H22FNO/c1-2-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3
Additionnal Information
IUPAC name: 1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one
Shipping Conditions
Room Temperature

Chemical Information

4'-Fluoro-alpha-pyrrolidinohexiophenone
CAS Number2230706-09-7
PubChem CID132989300
IUPAC Name1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one
Molecular FormulaC16H22FNO
Molecular Weight263.35
XLogP4.1
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity280
SMILES
CCCCC(C(=O)C1=CC=C(C=C1)F)N2CCCC2
InChI
InChI=1S/C16H22FNO/c1-2-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3
InChIKey
BCJXLSGKMNRRKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Fluoro-alpha-pyrrolidinohexiophenone
CAS: 2230706-09-7
CID: 132989300
Formula: C16H22FNO
MW: 263.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.35
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass263.16854249
Monoisotopic Mass263.16854249
Topological Polar Surface Area20.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR1095681-011- (4-Chlorophenyl) -1-hexanone
sc-2649481-Phenyl-2-hexanone
sc-3138424- (1-Pyrrolidinyl) -1-butanol
sc-2670274- (1-Pyrrolidinyl) -1-butylamine
AR-P33492-011- (4-piperidinyl) -2- (1-pyrrolidinyl) ethanone
FF100215-011-[1- (4-Fluorophenyl) -2,5-dimethyl-1H-pyrrol-3-yl]-2- (1-pyrrolidinyl) ethanone
4284294- (1-Pyrrolidinyl) cyclohexanone
sc-2678274'- (1-Pyrrolidinyl) acetophenone
FAA537171- (4-Chlorophenyl) -2- (1-pyrrolidinyl) -1-pentanone hydrochloride
sc-2322014- (1-Pyrrolidinyl) piperidine

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