3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine

C12H14F3N — CID 3540131

IUPAC3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1CCNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-8-6-7-16-11(8)9-2-4-10(5-3-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3
InChIKeySZKSMGYUQBSYES-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.38
Rot. Bonds1

About 3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine

3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 3540131) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID3540131
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1CCNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-8-6-7-16-11(8)9-2-4-10(5-3-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3
InChIKeySZKSMGYUQBSYES-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine (CID 3540131) is 3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine is CC1CCNC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is SZKSMGYUQBSYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8-6-7-16-11(8)9-2-4-10(5-3-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3.
What are the key properties of 3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine?
3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 229.25 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 3540131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).