1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone

C12H8F2N2O — CID 176577054

IUPAC1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone
SMILESCC(=O)c1c(F)cc(-c2ncccn2)cc1F
InChIInChI=1S/C12H8F2N2O/c1-7(17)11-9(13)5-8(6-10(11)14)12-15-3-2-4-16-12/h2-6H,1H3
InChIKeyRXYWCFQEJMUGKH-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.62
Rot. Bonds2

About 1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone

1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone (PubChem CID 176577054) has the molecular formula C12H8F2N2O and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone
PubChem CID176577054
Molecular FormulaC12H8F2N2O
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone
SMILESCC(=O)c1c(F)cc(-c2ncccn2)cc1F
InChIInChI=1S/C12H8F2N2O/c1-7(17)11-9(13)5-8(6-10(11)14)12-15-3-2-4-16-12/h2-6H,1H3
InChIKeyRXYWCFQEJMUGKH-UHFFFAOYSA-N
XLogP2.62
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-fluoro-4-pyrimidin-2-ylbenzoic acid
CID 165451224
2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine
CID 59133455
4-acetyl-3,5-difluorobenzaldehyde
CID 170901914
2,6-difluoro-4-pyridin-2-ylbenzoic acid
CID 176582239
1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone
CID 90250687
1-[2,3,4,5-tetrafluoro-6-(pyrimidin-2-ylamino)phenyl]ethanone
CID 101092245
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
2-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]pyrimidine
CID 22735177
1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone
CID 122479981
1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone
CID 164772496
1-(3-ethylsulfanyl-5-pyrimidin-2-yl-2-pyridinyl)ethanone
CID 121320656
(2-fluoro-5-pyrimidin-2-ylphenyl)methanol
CID 142687408

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone?
The IUPAC name of 1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone (CID 176577054) is 1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone is CC(=O)c1c(F)cc(-c2ncccn2)cc1F.
What is the InChIKey of 1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone?
The InChIKey is RXYWCFQEJMUGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O/c1-7(17)11-9(13)5-8(6-10(11)14)12-15-3-2-4-16-12/h2-6H,1H3.
What are the key properties of 1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone?
1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone has a molecular weight of 234.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone is sourced from PubChem (CID 176577054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).