1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine

C12H14F3N — CID 121014362

IUPAC1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine
SMILESCN1CCCC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H14F3N/c1-16-9-5-8-11(16,12(13,14)15)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyCOLUUTPSSXIBFO-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.17
Rot. Bonds1

About 1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine

1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine (PubChem CID 121014362) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine
PubChem CID121014362
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine
SMILESCN1CCCC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H14F3N/c1-16-9-5-8-11(16,12(13,14)15)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyCOLUUTPSSXIBFO-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine (CID 121014362) is 1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine is CN1CCCC1(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine?
The InChIKey is COLUUTPSSXIBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-16-9-5-8-11(16,12(13,14)15)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine?
1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine has a molecular weight of 229.25 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 121014362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).