1,2-difluoropiperidine

C5H9F2N — CID 54230812

IUPAC1,2-difluoropiperidine
SMILESFC1CCCCN1F
InChIInChI=1S/C5H9F2N/c6-5-3-1-2-4-8(5)7/h5H,1-4H2
InChIKeyQJCXKEDEUXGWKC-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.65
Rot. Bonds

About 1,2-difluoropiperidine

1,2-difluoropiperidine (PubChem CID 54230812) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 1,2-difluoropiperidine.

Molecular Properties

Compound Name1,2-difluoropiperidine
PubChem CID54230812
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name1,2-difluoropiperidine
SMILESFC1CCCCN1F
InChIInChI=1S/C5H9F2N/c6-5-3-1-2-4-8(5)7/h5H,1-4H2
InChIKeyQJCXKEDEUXGWKC-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoropiperidine?
The IUPAC name of 1,2-difluoropiperidine (CID 54230812) is 1,2-difluoropiperidine.
What is the SMILES notation for 1,2-difluoropiperidine?
The canonical SMILES for 1,2-difluoropiperidine is FC1CCCCN1F.
What is the InChIKey of 1,2-difluoropiperidine?
The InChIKey is QJCXKEDEUXGWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c6-5-3-1-2-4-8(5)7/h5H,1-4H2.
What are the key properties of 1,2-difluoropiperidine?
1,2-difluoropiperidine has a molecular weight of 121.13 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoropiperidine is sourced from PubChem (CID 54230812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).