3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one

C13H11F4NO — CID 132544269

IUPAC3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one
SMILESO=C1CC=C(F)CN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F4NO/c14-11-5-6-12(19)18(8-11)7-9-1-3-10(4-2-9)13(15,16)17/h1-5H,6-8H2
InChIKeyKJIIPJVPJXEOIP-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.29
Rot. Bonds2

About 3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one

3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one (PubChem CID 132544269) has the molecular formula C13H11F4NO and a molecular weight of 273.23 g/mol. Its IUPAC name is 3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one
PubChem CID132544269
Molecular FormulaC13H11F4NO
Molecular Weight273.23 g/mol
Exact Mass273.08
IUPAC Name3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one
SMILESO=C1CC=C(F)CN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F4NO/c14-11-5-6-12(19)18(8-11)7-9-1-3-10(4-2-9)13(15,16)17/h1-5H,6-8H2
InChIKeyKJIIPJVPJXEOIP-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
CID 132544265
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CID 141472105
1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64883374
3,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 63602482
1-methyl-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-one
CID 169159941
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 51195842
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
CID 116624448
5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 115064757
1-[(4-chlorophenyl)methyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113183765
5,11-bis[[4-(trifluoromethyl)phenyl]methyl]-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
CID 87063251
7-chloro-5-[(4-methylpiperazin-1-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 70328235
(4S)-6-[(4-fluorophenyl)methyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93115602

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one?
The IUPAC name of 3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one (CID 132544269) is 3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one.
What is the SMILES notation for 3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one?
The canonical SMILES for 3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one is O=C1CC=C(F)CN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one?
The InChIKey is KJIIPJVPJXEOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO/c14-11-5-6-12(19)18(8-11)7-9-1-3-10(4-2-9)13(15,16)17/h1-5H,6-8H2.
What are the key properties of 3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one?
3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one has a molecular weight of 273.23 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one is sourced from PubChem (CID 132544269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).