4,4-difluoro-1-methylpiperidine

C6H11F2N — CID 23394529

IUPAC4,4-difluoro-1-methylpiperidine
SMILESCN1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N/c1-9-4-2-6(7,8)3-5-9/h2-5H2,1H3
InChIKeyLFHMKODCPPOLIB-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.35
Rot. Bonds

About 4,4-difluoro-1-methylpiperidine

4,4-difluoro-1-methylpiperidine (PubChem CID 23394529) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-1-methylpiperidine
PubChem CID23394529
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name4,4-difluoro-1-methylpiperidine
SMILESCN1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N/c1-9-4-2-6(7,8)3-5-9/h2-5H2,1H3
InChIKeyLFHMKODCPPOLIB-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpiperidine?
The IUPAC name of 4,4-difluoro-1-methylpiperidine (CID 23394529) is 4,4-difluoro-1-methylpiperidine.
What is the SMILES notation for 4,4-difluoro-1-methylpiperidine?
The canonical SMILES for 4,4-difluoro-1-methylpiperidine is CN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-methylpiperidine?
The InChIKey is LFHMKODCPPOLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-9-4-2-6(7,8)3-5-9/h2-5H2,1H3.
What are the key properties of 4,4-difluoro-1-methylpiperidine?
4,4-difluoro-1-methylpiperidine has a molecular weight of 135.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylpiperidine is sourced from PubChem (CID 23394529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).