1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone

C9H6F4O2 — CID 164895051

IUPAC1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
SMILESCOc1c(F)ccc(C(=O)C(F)F)c1F
InChIInChI=1S/C9H6F4O2/c1-15-8-5(10)3-2-4(6(8)11)7(14)9(12)13/h2-3,9H,1H3
InChIKeyNIWIFWIJJFMSIA-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.42
Rot. Bonds3

About 1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone

1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone (PubChem CID 164895051) has the molecular formula C9H6F4O2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
PubChem CID164895051
Molecular FormulaC9H6F4O2
Molecular Weight222.14 g/mol
Exact Mass222.03
IUPAC Name1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
SMILESCOc1c(F)ccc(C(=O)C(F)F)c1F
InChIInChI=1S/C9H6F4O2/c1-15-8-5(10)3-2-4(6(8)11)7(14)9(12)13/h2-3,9H,1H3
InChIKeyNIWIFWIJJFMSIA-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 174661616
2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103433037
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 58180939
1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone
CID 171005543
3-(difluoromethoxy)-2,4-difluorobenzoic acid
CID 24721065
2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone
CID 130920299
2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116594142
2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone
CID 131332582
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone?
The IUPAC name of 1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone (CID 164895051) is 1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone is COc1c(F)ccc(C(=O)C(F)F)c1F.
What is the InChIKey of 1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone?
The InChIKey is NIWIFWIJJFMSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O2/c1-15-8-5(10)3-2-4(6(8)11)7(14)9(12)13/h2-3,9H,1H3.
What are the key properties of 1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone?
1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone has a molecular weight of 222.14 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone is sourced from PubChem (CID 164895051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).