3-phenyl-3-(trifluoromethyl)pyrrolidine

C11H12F3N — CID 131256316

IUPAC3-phenyl-3-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1(c2ccccc2)CCNC1
InChIInChI=1S/C11H12F3N/c12-11(13,14)10(6-7-15-8-10)9-4-2-1-3-5-9/h1-5,15H,6-8H2
InChIKeyFWTHGVFLVUXJIT-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.48
Rot. Bonds1

About 3-phenyl-3-(trifluoromethyl)pyrrolidine

3-phenyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 131256316) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-phenyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-phenyl-3-(trifluoromethyl)pyrrolidine
PubChem CID131256316
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name3-phenyl-3-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1(c2ccccc2)CCNC1
InChIInChI=1S/C11H12F3N/c12-11(13,14)10(6-7-15-8-10)9-4-2-1-3-5-9/h1-5,15H,6-8H2
InChIKeyFWTHGVFLVUXJIT-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 124566972
2-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrrolidin-3-yl]pyridine
CID 141429912
3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine
CID 134499213
1-methyl-3-phenyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 63710175
3-methyl-3-phenylpyrrolidine
CID 21098616
(2R)-2-phenyl-2-(trifluoromethyl)morpholine
CID 95240865
(3R)-3-phenylpyrrolidin-3-ol;hydrochloride
CID 154574670
3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63709803
(3S)-3-phenylpyrrolidine-3-carbonitrile
CID 124673264
3-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 63756759
5-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CID 81136885
6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
CID 55226691

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3-phenyl-3-(trifluoromethyl)pyrrolidine (CID 131256316) is 3-phenyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3-phenyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3-phenyl-3-(trifluoromethyl)pyrrolidine is FC(F)(F)C1(c2ccccc2)CCNC1.
What is the InChIKey of 3-phenyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is FWTHGVFLVUXJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-11(13,14)10(6-7-15-8-10)9-4-2-1-3-5-9/h1-5,15H,6-8H2.
What are the key properties of 3-phenyl-3-(trifluoromethyl)pyrrolidine?
3-phenyl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 215.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 131256316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).