(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride

C7H9ClF3NO — CID 165491183

IUPAC(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H9ClF3NO/c8-6(13)12-3-1-2-5(4-12)7(9,10)11/h5H,1-4H2/t5-/m0/s1
InChIKeyZDJQEVHMNMHBKB-YFKPBYRVSA-N
MW215.60 g/mol
LogP2.62
Rot. Bonds

About (3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride

(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride (PubChem CID 165491183) has the molecular formula C7H9ClF3NO and a molecular weight of 215.60 g/mol. Its IUPAC name is (3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride.

Molecular Properties

Compound Name(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
PubChem CID165491183
Molecular FormulaC7H9ClF3NO
Molecular Weight215.60 g/mol
Exact Mass215.03
IUPAC Name(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H9ClF3NO/c8-6(13)12-3-1-2-5(4-12)7(9,10)11/h5H,1-4H2/t5-/m0/s1
InChIKeyZDJQEVHMNMHBKB-YFKPBYRVSA-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

2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 116656471
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97005184
3-chloro-2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 62727952
(3R)-N-[(1R,2R)-2-methylcyclopropyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 100844708
N-(2-methylcyclopropyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 56825754
2-amino-3-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 54936811
[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129365590
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
5-bromo-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 107909095

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride?
The IUPAC name of (3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride (CID 165491183) is (3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride.
What is the SMILES notation for (3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride?
The canonical SMILES for (3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride is O=C(Cl)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride?
The InChIKey is ZDJQEVHMNMHBKB-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9ClF3NO/c8-6(13)12-3-1-2-5(4-12)7(9,10)11/h5H,1-4H2/t5-/m0/s1.
What are the key properties of (3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride?
(3S)-3-(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 (3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride is sourced from PubChem (CID 165491183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).