2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine

C13H16F3N — CID 62353196

IUPAC2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1NCCC1(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N/c1-9-12(2,7-8-17-9)10-5-3-4-6-11(10)13(14,15)16/h3-6,9,17H,7-8H2,1-2H3
InChIKeyLMMFCPADQHAWJI-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.34
Rot. Bonds1

About 2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine

2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 62353196) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID62353196
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1NCCC1(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N/c1-9-12(2,7-8-17-9)10-5-3-4-6-11(10)13(14,15)16/h3-6,9,17H,7-8H2,1-2H3
InChIKeyLMMFCPADQHAWJI-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55063141
2,3-dimethyl-3-(2-methylphenyl)pyrrolidine
CID 62353384
3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine
CID 62354378
2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde
CID 105485231
4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine
CID 91662828
3-(2,5-dichlorophenyl)-2,3-dimethylpyrrolidine
CID 62353383
ethyl 4-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate
CID 114486741
2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 117272157
2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 66467423
3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64752431
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 114697103
1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 174233777

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine (CID 62353196) is 2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine is CC1NCCC1(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is LMMFCPADQHAWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-9-12(2,7-8-17-9)10-5-3-4-6-11(10)13(14,15)16/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of 2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 243.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 62353196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).