(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride

C11H12ClF4N — CID 171196281

IUPAC(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
SMILESCl.Fc1ccc([C@@H]2CCCN2)cc1C(F)(F)F
InChIInChI=1S/C11H11F4N.ClH/c12-9-4-3-7(10-2-1-5-16-10)6-8(9)11(13,14)15;/h3-4,6,10,16H,1-2,5H2;1H/t10-;/m0./s1
InChIKeyVGVRNUVHTIFSMF-PPHPATTJSA-N
MW269.67 g/mol
LogP3.69
Rot. Bonds1

About (2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride

(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride (PubChem CID 171196281) has the molecular formula C11H12ClF4N and a molecular weight of 269.67 g/mol. Its IUPAC name is (2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
PubChem CID171196281
Molecular FormulaC11H12ClF4N
Molecular Weight269.67 g/mol
Exact Mass269.06
IUPAC Name(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
SMILESCl.Fc1ccc([C@@H]2CCCN2)cc1C(F)(F)F
InChIInChI=1S/C11H11F4N.ClH/c12-9-4-3-7(10-2-1-5-16-10)6-8(9)11(13,14)15;/h3-4,6,10,16H,1-2,5H2;1H/t10-;/m0./s1
InChIKeyVGVRNUVHTIFSMF-PPHPATTJSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326
(2S)-2-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 66519102
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196154
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 171193656
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195520
(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362
(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine
CID 66518805
4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine
CID 16679514
2-(3-ethyl-4-fluorophenyl)pyrrolidine
CID 117284037
2-(3-ethenyl-4-fluorophenyl)pyrrolidine
CID 172576187
6-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid
CID 107290045
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride (CID 171196281) is (2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride is Cl.Fc1ccc([C@@H]2CCCN2)cc1C(F)(F)F.
What is the InChIKey of (2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The InChIKey is VGVRNUVHTIFSMF-PPHPATTJSA-N. The full InChI is InChI=1S/C11H11F4N.ClH/c12-9-4-3-7(10-2-1-5-16-10)6-8(9)11(13,14)15;/h3-4,6,10,16H,1-2,5H2;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride has a molecular weight of 269.67 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 171196281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).