4,4-difluoro-2-methylpiperidine-1-carbonyl chloride

C7H10ClF2NO — CID 165496265

IUPAC4,4-difluoro-2-methylpiperidine-1-carbonyl chloride
SMILESCC1CC(F)(F)CCN1C(=O)Cl
InChIInChI=1S/C7H10ClF2NO/c1-5-4-7(9,10)2-3-11(5)6(8)12/h5H,2-4H2,1H3
InChIKeyTXPSFOHWDUKAQQ-UHFFFAOYSA-N
MW197.61 g/mol
LogP2.46
Rot. Bonds

About 4,4-difluoro-2-methylpiperidine-1-carbonyl chloride

4,4-difluoro-2-methylpiperidine-1-carbonyl chloride (PubChem CID 165496265) has the molecular formula C7H10ClF2NO and a molecular weight of 197.61 g/mol. Its IUPAC name is 4,4-difluoro-2-methylpiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4,4-difluoro-2-methylpiperidine-1-carbonyl chloride
PubChem CID165496265
Molecular FormulaC7H10ClF2NO
Molecular Weight197.61 g/mol
Exact Mass197.04
IUPAC Name4,4-difluoro-2-methylpiperidine-1-carbonyl chloride
SMILESCC1CC(F)(F)CCN1C(=O)Cl
InChIInChI=1S/C7H10ClF2NO/c1-5-4-7(9,10)2-3-11(5)6(8)12/h5H,2-4H2,1H3
InChIKeyTXPSFOHWDUKAQQ-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.61
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethylpiperidine-1-carbonyl chloride
CID 19070661
4,4-Difluoropiperidine-1-carbonyl chloride
CID 55263424
2-Ethylpiperidine-1-carbonyl chloride
CID 79001866
rac-(2R,6S)-2,6-dimethylpiperidine-1-carbonyl chloride
CID 94968704
2-(Trifluoromethyl)piperidine-1-carbonyl chloride
CID 138684402
3,3-Difluoropiperidine-1-carbonyl chloride
CID 116991545
2-(Trifluoromethyl)piperidine-1-carbaldehyde
CID 87726119
1-(2,2-Difluoroethyl)piperidin-1-ium-1-carbonyl chloride
CID 88319422
3-Fluoropiperidine-1-carbonyl chloride
CID 139295840
4-Fluoropiperidine-1-carbonyl chloride
CID 146155201
2-Methylpiperidine-1-carbonyl chloride
CID 17952004
(2R)-2-Methylpiperidine-1-carbonyl chloride
CID 45081355

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methylpiperidine-1-carbonyl chloride?
The IUPAC name of 4,4-difluoro-2-methylpiperidine-1-carbonyl chloride (CID 165496265) is 4,4-difluoro-2-methylpiperidine-1-carbonyl chloride.
What is the SMILES notation for 4,4-difluoro-2-methylpiperidine-1-carbonyl chloride?
The canonical SMILES for 4,4-difluoro-2-methylpiperidine-1-carbonyl chloride is CC1CC(F)(F)CCN1C(=O)Cl.
What is the InChIKey of 4,4-difluoro-2-methylpiperidine-1-carbonyl chloride?
The InChIKey is TXPSFOHWDUKAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2NO/c1-5-4-7(9,10)2-3-11(5)6(8)12/h5H,2-4H2,1H3.
What are the key properties of 4,4-difluoro-2-methylpiperidine-1-carbonyl chloride?
4,4-difluoro-2-methylpiperidine-1-carbonyl chloride has a molecular weight of 197.61 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methylpiperidine-1-carbonyl chloride is sourced from PubChem (CID 165496265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).