2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone

C19H18F3NO — CID 16723404

IUPAC2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone
SMILESCC1CC(c2ccccc2)(c2ccccc2)CN1C(=O)C(F)(F)F
InChIInChI=1S/C19H18F3NO/c1-14-12-18(15-8-4-2-5-9-15,16-10-6-3-7-11-16)13-23(14)17(24)19(20,21)22/h2-11,14H,12-13H2,1H3
InChIKeyPDKXHQWPCXZKPB-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.16
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone

2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone (PubChem CID 16723404) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone
PubChem CID16723404
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone
SMILESCC1CC(c2ccccc2)(c2ccccc2)CN1C(=O)C(F)(F)F
InChIInChI=1S/C19H18F3NO/c1-14-12-18(15-8-4-2-5-9-15,16-10-6-3-7-11-16)13-23(14)17(24)19(20,21)22/h2-11,14H,12-13H2,1H3
InChIKeyPDKXHQWPCXZKPB-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone (CID 16723404) is 2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone is CC1CC(c2ccccc2)(c2ccccc2)CN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone?
The InChIKey is PDKXHQWPCXZKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-14-12-18(15-8-4-2-5-9-15,16-10-6-3-7-11-16)13-23(14)17(24)19(20,21)22/h2-11,14H,12-13H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone?
2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone has a molecular weight of 333.35 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 16723404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).