1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one

C15H12Cl2F3NO2 — CID 152555395

IUPAC1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one
SMILESCC(c1ccc(Cl)cc1Cl)C(O)(n1ccccc1=O)C(F)(F)F
InChIInChI=1S/C15H12Cl2F3NO2/c1-9(11-6-5-10(16)8-12(11)17)14(23,15(18,19)20)21-7-3-2-4-13(21)22/h2-9,23H,1H3
InChIKeyYOJITRZBWUKNRO-UHFFFAOYSA-N
MW366.17 g/mol
LogP4.17
Rot. Bonds3

About 1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one

1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one (PubChem CID 152555395) has the molecular formula C15H12Cl2F3NO2 and a molecular weight of 366.17 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one
PubChem CID152555395
Molecular FormulaC15H12Cl2F3NO2
Molecular Weight366.17 g/mol
Exact Mass365.02
IUPAC Name1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one
SMILESCC(c1ccc(Cl)cc1Cl)C(O)(n1ccccc1=O)C(F)(F)F
InChIInChI=1S/C15H12Cl2F3NO2/c1-9(11-6-5-10(16)8-12(11)17)14(23,15(18,19)20)21-7-3-2-4-13(21)22/h2-9,23H,1H3
InChIKeyYOJITRZBWUKNRO-UHFFFAOYSA-N
XLogP4.17
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-bromo-2-chlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]quinolizin-4-one
CID 86645871
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
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N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 134004048
(2S,3S)-3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-quinolin-8-ylbutan-2-ol
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3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(2-methyl-4-pyridinyl)butan-2-ol
CID 25253357
3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
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5-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridine-2-carbonitrile
CID 57421247
2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
CID 55198798
2-(2,4-dichlorophenyl)propanoyl chloride
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cumene;2,4-dichloro-1-propan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one?
The IUPAC name of 1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one (CID 152555395) is 1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one?
The canonical SMILES for 1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one is CC(c1ccc(Cl)cc1Cl)C(O)(n1ccccc1=O)C(F)(F)F.
What is the InChIKey of 1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one?
The InChIKey is YOJITRZBWUKNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3NO2/c1-9(11-6-5-10(16)8-12(11)17)14(23,15(18,19)20)21-7-3-2-4-13(21)22/h2-9,23H,1H3.
What are the key properties of 1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one?
1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one has a molecular weight of 366.17 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]pyridin-2-one is sourced from PubChem (CID 152555395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).