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

C11H12Cl2F3NO — CID 171195984

IUPAC(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc([C@H]2CCCN2)cc1Cl
InChIInChI=1S/C11H11ClF3NO.ClH/c12-8-6-7(9-2-1-5-16-9)3-4-10(8)17-11(13,14)15;/h3-4,6,9,16H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyBJNIBZFVOGKLMX-SBSPUUFOSA-N
MW302.12 g/mol
LogP4.08
Rot. Bonds2

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

(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride (PubChem CID 171195984) has the molecular formula C11H12Cl2F3NO and a molecular weight of 302.12 g/mol. Its IUPAC name is (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
PubChem CID171195984
Molecular FormulaC11H12Cl2F3NO
Molecular Weight302.12 g/mol
Exact Mass301.02
IUPAC Name(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc([C@H]2CCCN2)cc1Cl
InChIInChI=1S/C11H11ClF3NO.ClH/c12-8-6-7(9-2-1-5-16-9)3-4-10(8)17-11(13,14)15;/h3-4,6,9,16H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyBJNIBZFVOGKLMX-SBSPUUFOSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196390
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195028
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride
CID 171197328
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196154
3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine
CID 117450926
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195520
2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine
CID 84800143
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride (CID 171195984) is (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride is Cl.FC(F)(F)Oc1ccc([C@H]2CCCN2)cc1Cl.
What is the InChIKey of (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride?
The InChIKey is BJNIBZFVOGKLMX-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H11ClF3NO.ClH/c12-8-6-7(9-2-1-5-16-9)3-4-10(8)17-11(13,14)15;/h3-4,6,9,16H,1-2,5H2;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride?
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride has a molecular weight of 302.12 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 171195984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).