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4,4-Difluoropiperidine

CAT: 0572-TRC-D451310-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D451310-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21987-29-1
Hazard Statement
Harmful if swallowed.
Smiles
FC1(F)CCNCC1
Molecular Formula
C5H9F2N
Molecular Weight
121.13
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4,4-Difluoropiperidine
CAS Number21987-29-1
PubChem CID2758352
IUPAC Name4,4-difluoropiperidine
Molecular FormulaC5H9F2N
Molecular Weight121.13
XLogP1
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
C1CNCCC1(F)F
InChI
InChI=1S/C5H9F2N/c6-5(7)1-3-8-4-2-5/h8H,1-4H2
InChIKey
MJOUJKDTBGXKIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4-Difluoropiperidine
CAS: 21987-29-1
CID: 2758352
Formula: C5H9F2N
MW: 121.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.13
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass121.07030562
Monoisotopic Mass121.07030562
Topological Polar Surface Area12 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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