1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone

C10H7F5O2 — CID 171031562

IUPAC1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)cc(OC(F)F)c1C(F)F
InChIInChI=1S/C10H7F5O2/c1-4(16)6-2-5(11)3-7(17-10(14)15)8(6)9(12)13/h2-3,9-10H,1H3
InChIKeyIKZQXGLWXARWPD-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.57
Rot. Bonds4

About 1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone

1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone (PubChem CID 171031562) has the molecular formula C10H7F5O2 and a molecular weight of 254.15 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone
PubChem CID171031562
Molecular FormulaC10H7F5O2
Molecular Weight254.15 g/mol
Exact Mass254.04
IUPAC Name1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)cc(OC(F)F)c1C(F)F
InChIInChI=1S/C10H7F5O2/c1-4(16)6-2-5(11)3-7(17-10(14)15)8(6)9(12)13/h2-3,9-10H,1H3
InChIKeyIKZQXGLWXARWPD-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031801
1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031809
1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399
1-[3-(difluoromethoxy)-5-(difluoromethyl)-2-iodophenyl]ethanone
CID 171031583
1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone
CID 171006158
1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
CID 171031547
methyl 5-cyano-3-(difluoromethoxy)-2-(difluoromethyl)benzoate
CID 134646334
1-[5-bromo-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131597786
2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one
CID 134619294
1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone
CID 131290897
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
1-[3-bromo-4-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 171000586

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone (CID 171031562) is 1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone is CC(=O)c1cc(F)cc(OC(F)F)c1C(F)F.
What is the InChIKey of 1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone?
The InChIKey is IKZQXGLWXARWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O2/c1-4(16)6-2-5(11)3-7(17-10(14)15)8(6)9(12)13/h2-3,9-10H,1H3.
What are the key properties of 1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone?
1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone has a molecular weight of 254.15 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone is sourced from PubChem (CID 171031562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).