3-chloro-2-(trifluoromethyl)piperidine

C6H9ClF3N — CID 141294308

IUPAC3-chloro-2-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1NCCCC1Cl
InChIInChI=1S/C6H9ClF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h4-5,11H,1-3H2
InChIKeyPMJHVBXDOWTUEQ-UHFFFAOYSA-N
MW187.59 g/mol
LogP1.91
Rot. Bonds

About 3-chloro-2-(trifluoromethyl)piperidine

3-chloro-2-(trifluoromethyl)piperidine (PubChem CID 141294308) has the molecular formula C6H9ClF3N and a molecular weight of 187.59 g/mol. Its IUPAC name is 3-chloro-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3-chloro-2-(trifluoromethyl)piperidine
PubChem CID141294308
Molecular FormulaC6H9ClF3N
Molecular Weight187.59 g/mol
Exact Mass187.04
IUPAC Name3-chloro-2-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1NCCCC1Cl
InChIInChI=1S/C6H9ClF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h4-5,11H,1-3H2
InChIKeyPMJHVBXDOWTUEQ-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride
CID 162342228
3-methyl-2-(trifluoromethyl)pyrrolidine
CID 82595109
ethyl (2R,3S)-2-(trifluoromethyl)piperidine-3-carboxylate
CID 178202342
ethyl 2-(trifluoromethyl)piperidine-3-carboxylate
CID 167740176
(2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine
CID 166825155
(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine
CID 95366782
(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine
CID 138991310
(2R)-2-fluoropyrrolidine;hydrochloride
CID 67095482
tert-butyl 2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetate
CID 125457210
2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine
CID 106778789
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552
(2S)-2-(trifluoromethyl)azepane
CID 52810921

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(trifluoromethyl)piperidine?
The IUPAC name of 3-chloro-2-(trifluoromethyl)piperidine (CID 141294308) is 3-chloro-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 3-chloro-2-(trifluoromethyl)piperidine?
The canonical SMILES for 3-chloro-2-(trifluoromethyl)piperidine is FC(F)(F)C1NCCCC1Cl.
What is the InChIKey of 3-chloro-2-(trifluoromethyl)piperidine?
The InChIKey is PMJHVBXDOWTUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h4-5,11H,1-3H2.
What are the key properties of 3-chloro-2-(trifluoromethyl)piperidine?
3-chloro-2-(trifluoromethyl)piperidine has a molecular weight of 187.59 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 141294308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).