1-butyl-4,4-difluoropiperidine

C9H17F2N — CID 91131040

IUPAC1-butyl-4,4-difluoropiperidine
SMILESCCCCN1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2N/c1-2-3-6-12-7-4-9(10,11)5-8-12/h2-8H2,1H3
InChIKeyBZBOVRPTYLGMHQ-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.52
Rot. Bonds3

About 1-butyl-4,4-difluoropiperidine

1-butyl-4,4-difluoropiperidine (PubChem CID 91131040) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-butyl-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-butyl-4,4-difluoropiperidine
PubChem CID91131040
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-butyl-4,4-difluoropiperidine
SMILESCCCCN1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2N/c1-2-3-6-12-7-4-9(10,11)5-8-12/h2-8H2,1H3
InChIKeyBZBOVRPTYLGMHQ-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,4-difluoropiperidine?
The IUPAC name of 1-butyl-4,4-difluoropiperidine (CID 91131040) is 1-butyl-4,4-difluoropiperidine.
What is the SMILES notation for 1-butyl-4,4-difluoropiperidine?
The canonical SMILES for 1-butyl-4,4-difluoropiperidine is CCCCN1CCC(F)(F)CC1.
What is the InChIKey of 1-butyl-4,4-difluoropiperidine?
The InChIKey is BZBOVRPTYLGMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-2-3-6-12-7-4-9(10,11)5-8-12/h2-8H2,1H3.
What are the key properties of 1-butyl-4,4-difluoropiperidine?
1-butyl-4,4-difluoropiperidine has a molecular weight of 177.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,4-difluoropiperidine is sourced from PubChem (CID 91131040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).