(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride

C12H14ClF4N — CID 171195018

IUPAC(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.Fc1c([C@@H]2CCCCN2)cccc1C(F)(F)F
InChIInChI=1S/C12H13F4N.ClH/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;1H/t10-;/m0./s1
InChIKeyZFNATJOWCBMXQM-PPHPATTJSA-N
MW283.70 g/mol
LogP4.08
Rot. Bonds1

About (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride

(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride (PubChem CID 171195018) has the molecular formula C12H14ClF4N and a molecular weight of 283.70 g/mol. Its IUPAC name is (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
PubChem CID171195018
Molecular FormulaC12H14ClF4N
Molecular Weight283.70 g/mol
Exact Mass283.08
IUPAC Name(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.Fc1c([C@@H]2CCCCN2)cccc1C(F)(F)F
InChIInChI=1S/C12H13F4N.ClH/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;1H/t10-;/m0./s1
InChIKeyZFNATJOWCBMXQM-PPHPATTJSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196381
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195066
(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195572
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
CID 66519144
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
CID 126961273
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
2-(4-bromo-2-fluoro-3-methylphenyl)piperidine
CID 117432838
2-(2-bromo-3-fluorophenyl)piperidine
CID 84709368
3-piperidin-2-yl-4-(trifluoromethyl)pyridine
CID 103692989

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The IUPAC name of (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride (CID 171195018) is (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The canonical SMILES for (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride is Cl.Fc1c([C@@H]2CCCCN2)cccc1C(F)(F)F.
What is the InChIKey of (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The InChIKey is ZFNATJOWCBMXQM-PPHPATTJSA-N. The full InChI is InChI=1S/C12H13F4N.ClH/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;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride has a molecular weight of 283.70 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 171195018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).