(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride

C11H12Cl2F3N — CID 171196154

IUPAC(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc([C@H]2CCCN2)cc1Cl
InChIInChI=1S/C11H11ClF3N.ClH/c12-9-6-7(10-2-1-5-16-10)3-4-8(9)11(13,14)15;/h3-4,6,10,16H,1-2,5H2;1H/t10-;/m1./s1
InChIKeyANVZZWMPZFAISF-HNCPQSOCSA-N
MW286.12 g/mol
LogP4.21
Rot. Bonds1

About (2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride

(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride (PubChem CID 171196154) has the molecular formula C11H12Cl2F3N and a molecular weight of 286.12 g/mol. Its IUPAC name is (2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
PubChem CID171196154
Molecular FormulaC11H12Cl2F3N
Molecular Weight286.12 g/mol
Exact Mass285.03
IUPAC Name(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc([C@H]2CCCN2)cc1Cl
InChIInChI=1S/C11H11ClF3N.ClH/c12-9-6-7(10-2-1-5-16-10)3-4-8(9)11(13,14)15;/h3-4,6,10,16H,1-2,5H2;1H/t10-;/m1./s1
InChIKeyANVZZWMPZFAISF-HNCPQSOCSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195520
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196281
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171195984
(2S)-2-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 66519102
(3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine
CID 171193456
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196390
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195028
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
(4S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171186001
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride (CID 171196154) is (2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride is Cl.FC(F)(F)c1ccc([C@H]2CCCN2)cc1Cl.
What is the InChIKey of (2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The InChIKey is ANVZZWMPZFAISF-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H11ClF3N.ClH/c12-9-6-7(10-2-1-5-16-10)3-4-8(9)11(13,14)15;/h3-4,6,10,16H,1-2,5H2;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride has a molecular weight of 286.12 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 171196154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).