4-(trifluoromethyl)piperidine-1-carbonyl chloride

C7H9ClF3NO — CID 79887081

IUPAC4-(trifluoromethyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H9ClF3NO/c8-6(13)12-3-1-5(2-4-12)7(9,10)11/h5H,1-4H2
InChIKeyLTABPCGEHHURFG-UHFFFAOYSA-N
MW215.60 g/mol
LogP2.62
Rot. Bonds

About 4-(trifluoromethyl)piperidine-1-carbonyl chloride

4-(trifluoromethyl)piperidine-1-carbonyl chloride (PubChem CID 79887081) has the molecular formula C7H9ClF3NO and a molecular weight of 215.60 g/mol. Its IUPAC name is 4-(trifluoromethyl)piperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-(trifluoromethyl)piperidine-1-carbonyl chloride
PubChem CID79887081
Molecular FormulaC7H9ClF3NO
Molecular Weight215.60 g/mol
Exact Mass215.03
IUPAC Name4-(trifluoromethyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H9ClF3NO/c8-6(13)12-3-1-5(2-4-12)7(9,10)11/h5H,1-4H2
InChIKeyLTABPCGEHHURFG-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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
4-Ethylpiperidine-1-carbonyl chloride
CID 79886896
3,3-Difluoropiperidine-1-carbonyl chloride
CID 116991545
4-(Difluoromethyl)piperidine-1-carbonyl chloride
CID 126995207
4-Fluoro-4-methylpiperidine-1-carbonyl chloride
CID 154577300
4-(Trifluoromethyl)piperidine-1-carbaldehyde
CID 57948633
4-(Fluoromethyl)piperidine-1-carbonyl chloride
CID 86672026
4-(1,1-Difluoroethyl)piperidine-1-carbonyl chloride
CID 87425334
4-(2-Fluoroethyl)piperidine-1-carbonyl chloride
CID 87425336
1-(2,2-Difluoroethyl)piperidin-1-ium-1-carbonyl chloride
CID 88319422
3,3-Difluoro-4-methylpiperidine-1-carbaldehyde
CID 89616478
4-(difluoromethyl)piperidine-1-carbothioic S-acid
CID 132024421

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)piperidine-1-carbonyl chloride?
The IUPAC name of 4-(trifluoromethyl)piperidine-1-carbonyl chloride (CID 79887081) is 4-(trifluoromethyl)piperidine-1-carbonyl chloride.
What is the SMILES notation for 4-(trifluoromethyl)piperidine-1-carbonyl chloride?
The canonical SMILES for 4-(trifluoromethyl)piperidine-1-carbonyl chloride is O=C(Cl)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)piperidine-1-carbonyl chloride?
The InChIKey is LTABPCGEHHURFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3NO/c8-6(13)12-3-1-5(2-4-12)7(9,10)11/h5H,1-4H2.
What are the key properties of 4-(trifluoromethyl)piperidine-1-carbonyl chloride?
4-(trifluoromethyl)piperidine-1-carbonyl chloride has a molecular weight of 215.60 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)piperidine-1-carbonyl chloride is sourced from PubChem (CID 79887081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).