(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine

C12H13F4NO — CID 171195260

IUPAC(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
SMILESFc1ccc(OC(F)(F)F)cc1[C@@H]1CCCCN1
InChIInChI=1S/C12H13F4NO/c13-10-5-4-8(18-12(14,15)16)7-9(10)11-3-1-2-6-17-11/h4-5,7,11,17H,1-3,6H2/t11-/m0/s1
InChIKeyMCMCWQBJKZEXCF-NSHDSACASA-N
MW263.23 g/mol
LogP3.54
Rot. Bonds2

About (2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine

(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine (PubChem CID 171195260) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is (2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
PubChem CID171195260
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
SMILESFc1ccc(OC(F)(F)F)cc1[C@@H]1CCCCN1
InChIInChI=1S/C12H13F4NO/c13-10-5-4-8(18-12(14,15)16)7-9(10)11-3-1-2-6-17-11/h4-5,7,11,17H,1-3,6H2/t11-/m0/s1
InChIKeyMCMCWQBJKZEXCF-NSHDSACASA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195261
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171196000
(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196183
(4R)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171184750
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 171194833
2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine
CID 21364515
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
CID 174947937
CID 174947937
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole
CID 86637332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of (2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine (CID 171195260) is (2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for (2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for (2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine is Fc1ccc(OC(F)(F)F)cc1[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is MCMCWQBJKZEXCF-NSHDSACASA-N. The full InChI is InChI=1S/C12H13F4NO/c13-10-5-4-8(18-12(14,15)16)7-9(10)11-3-1-2-6-17-11/h4-5,7,11,17H,1-3,6H2/t11-/m0/s1.
What are the key properties of (2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine?
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 263.23 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 171195260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).