1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one

C19H12F5NO2 — CID 129093336

IUPAC1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(-c2ccc(F)cc2)cn1-c1ccc(OCF)cc1
InChIInChI=1S/C19H12F5NO2/c20-11-27-15-7-5-14(6-8-15)25-10-16(12-1-3-13(21)4-2-12)17(9-18(25)26)19(22,23)24/h1-10H,11H2
InChIKeyUCEWWHRHTXUDGA-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.97
Rot. Bonds4

About 1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one

1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 129093336) has the molecular formula C19H12F5NO2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one
PubChem CID129093336
Molecular FormulaC19H12F5NO2
Molecular Weight381.30 g/mol
Exact Mass381.08
IUPAC Name1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(-c2ccc(F)cc2)cn1-c1ccc(OCF)cc1
InChIInChI=1S/C19H12F5NO2/c20-11-27-15-7-5-14(6-8-15)25-10-16(12-1-3-13(21)4-2-12)17(9-18(25)26)19(22,23)24/h1-10H,11H2
InChIKeyUCEWWHRHTXUDGA-UHFFFAOYSA-N
XLogP4.97
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one (CID 129093336) is 1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one is O=c1cc(C(F)(F)F)c(-c2ccc(F)cc2)cn1-c1ccc(OCF)cc1.
What is the InChIKey of 1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is UCEWWHRHTXUDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5NO2/c20-11-27-15-7-5-14(6-8-15)25-10-16(12-1-3-13(21)4-2-12)17(9-18(25)26)19(22,23)24/h1-10H,11H2.
What are the key properties of 1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one?
1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 381.30 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 129093336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).