2-(trifluoromethyl)piperidine-1-carbonyl chloride

C7H9ClF3NO — CID 138684402

IUPAC2-(trifluoromethyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCCCC1C(F)(F)F
InChIInChI=1S/C7H9ClF3NO/c8-6(13)12-4-2-1-3-5(12)7(9,10)11/h5H,1-4H2
InChIKeyRJDLEICQAGMIAW-UHFFFAOYSA-N
MW215.60 g/mol
LogP2.76
Rot. Bonds

About 2-(trifluoromethyl)piperidine-1-carbonyl chloride

2-(trifluoromethyl)piperidine-1-carbonyl chloride (PubChem CID 138684402) has the molecular formula C7H9ClF3NO and a molecular weight of 215.60 g/mol. Its IUPAC name is 2-(trifluoromethyl)piperidine-1-carbonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)piperidine-1-carbonyl chloride
PubChem CID138684402
Molecular FormulaC7H9ClF3NO
Molecular Weight215.60 g/mol
Exact Mass215.03
IUPAC Name2-(trifluoromethyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCCCC1C(F)(F)F
InChIInChI=1S/C7H9ClF3NO/c8-6(13)12-4-2-1-3-5(12)7(9,10)11/h5H,1-4H2
InChIKeyRJDLEICQAGMIAW-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.60
LogP ≤ 52.76
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

4,4-Difluoropiperidine-1-carbonyl chloride
CID 55263424
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-(Trifluoromethyl)piperidine-1-carboxylate
CID 154311331
4,4-Difluoro-2-methylpiperidine-1-carbonyl chloride
CID 165496265
2-Methylpiperidine-1-carbonyl chloride
CID 17952004
(2R)-2-Methylpiperidine-1-carbonyl chloride
CID 45081355
(2S)-2-Methylpiperidine-1-carbonyl chloride
CID 45081356

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)piperidine-1-carbonyl chloride?
The IUPAC name of 2-(trifluoromethyl)piperidine-1-carbonyl chloride (CID 138684402) is 2-(trifluoromethyl)piperidine-1-carbonyl chloride.
What is the SMILES notation for 2-(trifluoromethyl)piperidine-1-carbonyl chloride?
The canonical SMILES for 2-(trifluoromethyl)piperidine-1-carbonyl chloride is O=C(Cl)N1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)piperidine-1-carbonyl chloride?
The InChIKey is RJDLEICQAGMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3NO/c8-6(13)12-4-2-1-3-5(12)7(9,10)11/h5H,1-4H2.
What are the key properties of 2-(trifluoromethyl)piperidine-1-carbonyl chloride?
2-(trifluoromethyl)piperidine-1-carbonyl chloride has a molecular weight of 215.60 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)piperidine-1-carbonyl chloride is sourced from PubChem (CID 138684402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).