2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone

C10H12FO4P — CID 11149268

IUPAC2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone
SMILESCOP(=O)(CC(=O)c1ccc(F)cc1)OC
InChIInChI=1S/C10H12FO4P/c1-14-16(13,15-2)7-10(12)8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyBDVORWKKBOPJIB-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.49
Rot. Bonds5

About 2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone

2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone (PubChem CID 11149268) has the molecular formula C10H12FO4P and a molecular weight of 246.17 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone
PubChem CID11149268
Molecular FormulaC10H12FO4P
Molecular Weight246.17 g/mol
Exact Mass246.05
IUPAC Name2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone
SMILESCOP(=O)(CC(=O)c1ccc(F)cc1)OC
InChIInChI=1S/C10H12FO4P/c1-14-16(13,15-2)7-10(12)8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyBDVORWKKBOPJIB-UHFFFAOYSA-N
XLogP2.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-bis(4-methylphenoxy)phosphoryl-1-(4-fluorophenyl)ethanone
CID 175041045
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone
CID 43801623
2-methoxyethyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78830805
methyl 4-(2-diethoxyphosphorylacetyl)benzoate
CID 86060714
1-(4-fluorophenyl)-4-(2-methoxyethylsulfonyl)butan-1-one
CID 64644323
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651
1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one
CID 61427319
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
methyl 2-(4-fluorobenzoyl)-4-(4-fluorophenyl)-4-oxobutanoate
CID 101230887
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone (CID 11149268) is 2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone is COP(=O)(CC(=O)c1ccc(F)cc1)OC.
What is the InChIKey of 2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone?
The InChIKey is BDVORWKKBOPJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FO4P/c1-14-16(13,15-2)7-10(12)8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone?
2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone has a molecular weight of 246.17 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 11149268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).