2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine

C13H16F3N — CID 117272242

IUPAC2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1CCC(C)(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C13H16F3N/c1-9-6-7-12(2,17-9)10-4-3-5-11(8-10)13(14,15)16/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyVHOQLWPEULHYCR-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.69
Rot. Bonds1

About 2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine

2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 117272242) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID117272242
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1CCC(C)(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C13H16F3N/c1-9-6-7-12(2,17-9)10-4-3-5-11(8-10)13(14,15)16/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyVHOQLWPEULHYCR-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 64666853
4,4,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-1,5-diazocane
CID 146522074
4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 63156452
1-(1-isocyanocyclopropyl)-3-(trifluoromethyl)benzene
CID 105464720
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 64754384
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 112562450
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 80705627
2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine
CID 115059013
(2S,4S)-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630724
N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide
CID 71997220

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine (CID 117272242) is 2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine is CC1CCC(C)(c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is VHOQLWPEULHYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-9-6-7-12(2,17-9)10-4-3-5-11(8-10)13(14,15)16/h3-5,8-9,17H,6-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine?
2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 243.27 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 117272242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).