1-[3-(difluoromethoxy)-2-methylphenyl]ethanone

C10H10F2O2 — CID 70867743

IUPAC1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
SMILESCC(=O)c1cccc(OC(F)F)c1C
InChIInChI=1S/C10H10F2O2/c1-6-8(7(2)13)4-3-5-9(6)14-10(11)12/h3-5,10H,1-2H3
InChIKeyMRSJDONUNNGFSF-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.80
Rot. Bonds3

About 1-[3-(difluoromethoxy)-2-methylphenyl]ethanone

1-[3-(difluoromethoxy)-2-methylphenyl]ethanone (PubChem CID 70867743) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
PubChem CID70867743
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
SMILESCC(=O)c1cccc(OC(F)F)c1C
InChIInChI=1S/C10H10F2O2/c1-6-8(7(2)13)4-3-5-9(6)14-10(11)12/h3-5,10H,1-2H3
InChIKeyMRSJDONUNNGFSF-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
1-[3-(difluoromethoxy)-4-fluoro-2-methylphenyl]ethanone
CID 131615132
1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171027893
1-bromo-3-[3-(difluoromethoxy)-2-methylphenyl]propan-2-one
CID 134616416
1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 131379036
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
1-[2-[fluoro(phenyl)methoxy]phenyl]ethanone
CID 57364040
1-[2-(difluoromethyl)-3-methoxyphenyl]ethanone
CID 84669251
2-acetyl-3-(difluoromethoxy)benzaldehyde
CID 170996257
3-[2-(difluoromethoxy)phenyl]-2-fluorobut-2-enoic acid
CID 79728817
3-(difluoromethoxy)-2-methoxybenzoate
CID 170682141

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-2-methylphenyl]ethanone?
The IUPAC name of 1-[3-(difluoromethoxy)-2-methylphenyl]ethanone (CID 70867743) is 1-[3-(difluoromethoxy)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-(difluoromethoxy)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[3-(difluoromethoxy)-2-methylphenyl]ethanone is CC(=O)c1cccc(OC(F)F)c1C.
What is the InChIKey of 1-[3-(difluoromethoxy)-2-methylphenyl]ethanone?
The InChIKey is MRSJDONUNNGFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6-8(7(2)13)4-3-5-9(6)14-10(11)12/h3-5,10H,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)-2-methylphenyl]ethanone?
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone has a molecular weight of 200.18 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-2-methylphenyl]ethanone is sourced from PubChem (CID 70867743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).