2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine

C13H13F6N — CID 144649311

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine
SMILESCC1CCC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1
InChIInChI=1S/C13H13F6N/c1-7-2-3-11(20-7)8-4-9(12(14,15)16)6-10(5-8)13(17,18)19/h4-7,11,20H,2-3H2,1H3
InChIKeyRMWFKJBVLWFHIY-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.54
Rot. Bonds1

About 2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine

2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine (PubChem CID 144649311) has the molecular formula C13H13F6N and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine
PubChem CID144649311
Molecular FormulaC13H13F6N
Molecular Weight297.24 g/mol
Exact Mass297.10
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine
SMILESCC1CCC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1
InChIInChI=1S/C13H13F6N/c1-7-2-3-11(20-7)8-4-9(12(14,15)16)6-10(5-8)13(17,18)19/h4-7,11,20H,2-3H2,1H3
InChIKeyRMWFKJBVLWFHIY-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine 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

5-methyl-3-[4-(trifluoromethyl)phenyl]-1,4-thiazepane 1,1-dioxide
CID 66234218
5-[3,5-bis(trifluoromethyl)phenyl]-2-methylthiomorpholine
CID 66242874
(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171183721
(2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane
CID 102340222
2-ethyl-2-[(2R,5S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-2-yl]butanoic acid
CID 138716275
(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171196840
(2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine
CID 131505510
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine
CID 6928964
(2S)-2-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-4-one
CID 97325512
3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyrrolidine
CID 115351224
2,8-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 154729744

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine (CID 144649311) is 2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine is CC1CCC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine?
The InChIKey is RMWFKJBVLWFHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6N/c1-7-2-3-11(20-7)8-4-9(12(14,15)16)6-10(5-8)13(17,18)19/h4-7,11,20H,2-3H2,1H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine?
2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine has a molecular weight of 297.24 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine is sourced from PubChem (CID 144649311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).