(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine

C11H11ClF3NO — CID 171196390

IUPAC(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
SMILESFC(F)(F)Oc1ccc([C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C11H11ClF3NO/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/t9-/m0/s1
InChIKeyDXZKDLOBHDWCMR-VIFPVBQESA-N
MW265.66 g/mol
LogP3.66
Rot. Bonds2

About (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine

(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine (PubChem CID 171196390) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
PubChem CID171196390
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
SMILESFC(F)(F)Oc1ccc([C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C11H11ClF3NO/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/t9-/m0/s1
InChIKeyDXZKDLOBHDWCMR-VIFPVBQESA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171195984
(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
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195520
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine
CID 84800143
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
CID 117414258
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
CID 117452468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine?
The IUPAC name of (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine (CID 171196390) is (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine?
The canonical SMILES for (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine is FC(F)(F)Oc1ccc([C@@H]2CCCN2)cc1Cl.
What is the InChIKey of (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine?
The InChIKey is DXZKDLOBHDWCMR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11ClF3NO/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/t9-/m0/s1.
What are the key properties of (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine?
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine has a molecular weight of 265.66 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 171196390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).