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3- (3-Fluorophenoxy) pyrrolidine

CAT: 0127-PC107149Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC107149Size:1 Each
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CAS Number
871587-68-7
Purity
=95%
Smiles
Fc1cccc(OC2CCNC2)c1

Chemical Information

3-(3-Fluorophenoxy)pyrrolidine
CAS Number871587-68-7
PubChem CID45075501
IUPAC Name3-(3-fluorophenoxy)pyrrolidine
Molecular FormulaC10H12FNO
Molecular Weight181.21
XLogP1.8
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity165
SMILES
C1CNCC1OC2=CC(=CC=C2)F
InChI
InChI=1S/C10H12FNO/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7H2
InChIKey
AKHGRTYTFZRUHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-Fluorophenoxy)pyrrolidine
CAS: 871587-68-7
CID: 45075501
Formula: C10H12FNO
MW: 181.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.21
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass181.090292168
Monoisotopic Mass181.090292168
Topological Polar Surface Area21.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity165
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
sc-3094513- (2-Fluorophenoxy) pyrrolidine
sc-3120763-[ (3-Fluorophenoxy) methyl]pyrrolidine
KXB11976-013- (3-Fluorophenoxy) pyrrolidine hydrochloride
463773-01(R) -3- (4-Fluorophenoxy) pyrrolidine
LYB50742-013- (2-Fluorophenoxy) pyrrolidine hydrochloride
422875-013- (4-Fluorophenoxy) pyrrolidine HCl
sc-3119573- (4-Fluorophenoxy) pyrrolidine hydrochloride
sc-3093923- (2-Chloro-5-fluorophenoxy) pyrrolidine
sc-3105323-[ (4-Fluorophenoxy) methyl]pyrrolidine hydrochloride
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