2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone

C9H7F3O2 — CID 126972003

IUPAC2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone
SMILESCOc1cc(F)cc(C(=O)C(F)F)c1
InChIInChI=1S/C9H7F3O2/c1-14-7-3-5(2-6(10)4-7)8(13)9(11)12/h2-4,9H,1H3
InChIKeyLUSKKAHUOYCPMI-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.28
Rot. Bonds3

About 2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone

2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone (PubChem CID 126972003) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone
PubChem CID126972003
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone
SMILESCOc1cc(F)cc(C(=O)C(F)F)c1
InChIInChI=1S/C9H7F3O2/c1-14-7-3-5(2-6(10)4-7)8(13)9(11)12/h2-4,9H,1H3
InChIKeyLUSKKAHUOYCPMI-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2,2-difluoroethanone
CID 91636131
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
1-(3-fluoro-5-methoxyphenyl)-3-methylbut-2-en-1-one
CID 130757454
1-(3-fluoro-5-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 146006763
3,5-dimethoxybenzoyl fluoride
CID 102051744
CID 58361867
CID 58361867
1-(3,5-dimethylphenyl)-2,2-difluoroethanone
CID 91636254
1-(3,5-difluorophenyl)-2-methoxy-3-methylbutan-1-one
CID 116708370
4-(3-fluoro-5-methoxyphenyl)benzoic acid
CID 68930625
1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one
CID 79705089
2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one
CID 18967825

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone?
The IUPAC name of 2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone (CID 126972003) is 2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone is COc1cc(F)cc(C(=O)C(F)F)c1.
What is the InChIKey of 2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone?
The InChIKey is LUSKKAHUOYCPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-14-7-3-5(2-6(10)4-7)8(13)9(11)12/h2-4,9H,1H3.
What are the key properties of 2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone?
2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone has a molecular weight of 204.15 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone is sourced from PubChem (CID 126972003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).