(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine

C12H13ClF3N — CID 171195520

IUPAC(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1cc([C@H]2CCCCN2)ccc1Cl
InChIInChI=1S/C12H13ClF3N/c13-10-5-4-8(7-9(10)12(14,15)16)11-3-1-2-6-17-11/h4-5,7,11,17H,1-3,6H2/t11-/m1/s1
InChIKeyFVYRVICBPLTSTG-LLVKDONJSA-N
MW263.69 g/mol
LogP4.17
Rot. Bonds1

About (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine

(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine (PubChem CID 171195520) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
PubChem CID171195520
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1cc([C@H]2CCCCN2)ccc1Cl
InChIInChI=1S/C12H13ClF3N/c13-10-5-4-8(7-9(10)12(14,15)16)11-3-1-2-6-17-11/h4-5,7,11,17H,1-3,6H2/t11-/m1/s1
InChIKeyFVYRVICBPLTSTG-LLVKDONJSA-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

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Related Compounds

(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196154
(2S)-2-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 66519102
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196281
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195028
5-piperidin-2-yl-2-(trifluoromethyl)benzamide
CID 163347824
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862
2-[4-(trifluoromethyl)phenyl]azepane
CID 3972899
2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 21082583
(4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 171252733
2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride
CID 155976846

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine (CID 171195520) is (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1cc([C@H]2CCCCN2)ccc1Cl.
What is the InChIKey of (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine?
The InChIKey is FVYRVICBPLTSTG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13ClF3N/c13-10-5-4-8(7-9(10)12(14,15)16)11-3-1-2-6-17-11/h4-5,7,11,17H,1-3,6H2/t11-/m1/s1.
What are the key properties of (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine?
(2R)-2-[4-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-[4-chloro-3-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 171195520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).