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

C10H10F2O3 — CID 146010216

IUPAC1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1cc(F)c(OC)cc1F
InChIInChI=1S/C10H10F2O3/c1-14-5-9(13)6-3-8(12)10(15-2)4-7(6)11/h3-4H,5H2,1-2H3
InChIKeyYHCYCQGXRIYGKS-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.80
Rot. Bonds4

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

1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone (PubChem CID 146010216) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone
PubChem CID146010216
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1cc(F)c(OC)cc1F
InChIInChI=1S/C10H10F2O3/c1-14-5-9(13)6-3-8(12)10(15-2)4-7(6)11/h3-4H,5H2,1-2H3
InChIKeyYHCYCQGXRIYGKS-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

4-(2,5-difluoro-4-methoxyphenyl)-4-oxobutanenitrile
CID 116862131
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
3-chloro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
CID 104645825
1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone
CID 146011423
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
3-hydroxypropyl 2,5-difluoro-4-methoxybenzoate
CID 116863079
4-amino-1-(2,5-difluoro-4-methoxyphenyl)-2,2-dimethylbutan-1-one
CID 116916391
1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one
CID 165444384
2-(aminomethyl)-1-(2,5-difluoro-4-methoxyphenyl)butan-1-one
CID 116923225
2-methoxy-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 138505365

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone?
The IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone (CID 146010216) is 1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone.
What is the SMILES notation for 1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone?
The canonical SMILES for 1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone is COCC(=O)c1cc(F)c(OC)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone?
The InChIKey is YHCYCQGXRIYGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-14-5-9(13)6-3-8(12)10(15-2)4-7(6)11/h3-4H,5H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone?
1-(2,5-difluoro-4-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-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone is sourced from PubChem (CID 146010216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).