4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C12H9F6NO — CID 15086225

IUPAC4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(C(F)(F)F)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F6NO/c13-11(14,15)7-2-1-3-9(4-7)19-6-8(5-10(19)20)12(16,17)18/h1-4,8H,5-6H2
InChIKeyANFDUFZXLQQHMP-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.62
Rot. Bonds1

About 4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 15086225) has the molecular formula C12H9F6NO and a molecular weight of 297.20 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID15086225
Molecular FormulaC12H9F6NO
Molecular Weight297.20 g/mol
Exact Mass297.06
IUPAC Name4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(C(F)(F)F)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F6NO/c13-11(14,15)7-2-1-3-9(4-7)19-6-8(5-10(19)20)12(16,17)18/h1-4,8H,5-6H2
InChIKeyANFDUFZXLQQHMP-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 15086225) is 4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1CC(C(F)(F)F)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is ANFDUFZXLQQHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6NO/c13-11(14,15)7-2-1-3-9(4-7)19-6-8(5-10(19)20)12(16,17)18/h1-4,8H,5-6H2.
What are the key properties of 4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 297.20 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 15086225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).