(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine

C12H13ClF3N — CID 171195572

IUPAC(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1cccc([C@H]2CCCCN2)c1Cl
InChIInChI=1S/C12H13ClF3N/c13-11-8(10-6-1-2-7-17-10)4-3-5-9(11)12(14,15)16/h3-5,10,17H,1-2,6-7H2/t10-/m1/s1
InChIKeyISFPDNRQFCHMCC-SNVBAGLBSA-N
MW263.69 g/mol
LogP4.17
Rot. Bonds1

About (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine

(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine (PubChem CID 171195572) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
PubChem CID171195572
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1cccc([C@H]2CCCCN2)c1Cl
InChIInChI=1S/C12H13ClF3N/c13-11-8(10-6-1-2-7-17-10)4-3-5-9(11)12(14,15)16/h3-5,10,17H,1-2,6-7H2/t10-/m1/s1
InChIKeyISFPDNRQFCHMCC-SNVBAGLBSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195066
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195018
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193872
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
CID 66519144
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196381
2-chloro-3-piperidin-2-ylphenol
CID 130000735
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
CID 126961273
2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 115061404
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195520

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine (CID 171195572) is (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1cccc([C@H]2CCCCN2)c1Cl.
What is the InChIKey of (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine?
The InChIKey is ISFPDNRQFCHMCC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13ClF3N/c13-11-8(10-6-1-2-7-17-10)4-3-5-9(11)12(14,15)16/h3-5,10,17H,1-2,6-7H2/t10-/m1/s1.
What are the key properties of (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine?
(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine has a molecular weight of 263.69 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 171195572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).