(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine

C17H16F3N — CID 126961273

IUPAC(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1-c1ccccc1[C@@H]1CCCN1
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-9-4-3-7-13(15)12-6-1-2-8-14(12)16-10-5-11-21-16/h1-4,6-9,16,21H,5,10-11H2/t16-/m0/s1
InChIKeyLSXDLQVCHXORSK-INIZCTEOSA-N
MW291.32 g/mol
LogP4.80
Rot. Bonds2

About (2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine

(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine (PubChem CID 126961273) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is (2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
PubChem CID126961273
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1-c1ccccc1[C@@H]1CCCN1
InChIInChI=1S/C17H16F3N/c18-17(19,20)15-9-4-3-7-13(15)12-6-1-2-8-14(12)16-10-5-11-21-16/h1-4,6-9,16,21H,5,10-11H2/t16-/m0/s1
InChIKeyLSXDLQVCHXORSK-INIZCTEOSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-pyrrolidin-2-ylphenyl)benzenethiol
CID 175093936
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196381
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
CID 66519144
(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195572
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195066
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195018
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine
CID 46200904
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196029
(2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine
CID 131498853
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196002

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
The IUPAC name of (2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine (CID 126961273) is (2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
The canonical SMILES for (2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine is FC(F)(F)c1ccccc1-c1ccccc1[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
The InChIKey is LSXDLQVCHXORSK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16F3N/c18-17(19,20)15-9-4-3-7-13(15)12-6-1-2-8-14(12)16-10-5-11-21-16/h1-4,6-9,16,21H,5,10-11H2/t16-/m0/s1.
What are the key properties of (2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine has a molecular weight of 291.32 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine is sourced from PubChem (CID 126961273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).