1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone

C10H10F2O3 — CID 146011423

IUPAC1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1cc(F)c(F)c(OC)c1
InChIInChI=1S/C10H10F2O3/c1-14-5-8(13)6-3-7(11)10(12)9(4-6)15-2/h3-4H,5H2,1-2H3
InChIKeyDPAABHGQEYBPKY-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.80
Rot. Bonds4

About 1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone

1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone (PubChem CID 146011423) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone
PubChem CID146011423
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1cc(F)c(F)c(OC)c1
InChIInChI=1S/C10H10F2O3/c1-14-5-8(13)6-3-7(11)10(12)9(4-6)15-2/h3-4H,5H2,1-2H3
InChIKeyDPAABHGQEYBPKY-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one
CID 84783776
1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone
CID 146010216
1-(3,4-difluoro-5-methoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 146006052
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117439986
1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
CID 107508257
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
3-amino-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-1-one
CID 117337381
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
3-amino-1-(3,4,5-trifluorophenyl)propan-1-one
CID 131141781
1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
CID 2737020
1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one
CID 144811836
3-(3,4-difluoro-5-methoxyanilino)-3-oxopropanoic acid
CID 169256810

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone?
The IUPAC name of 1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone (CID 146011423) is 1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone.
What is the SMILES notation for 1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone?
The canonical SMILES for 1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone is COCC(=O)c1cc(F)c(F)c(OC)c1.
What is the InChIKey of 1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone?
The InChIKey is DPAABHGQEYBPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-14-5-8(13)6-3-7(11)10(12)9(4-6)15-2/h3-4H,5H2,1-2H3.
What are the key properties of 1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone?
1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone has a molecular weight of 216.18 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone is sourced from PubChem (CID 146011423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).