1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone

C11H12F2O2 — CID 131525559

IUPAC1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
SMILESCC(=O)c1c(C)cc(OC(F)F)cc1C
InChIInChI=1S/C11H12F2O2/c1-6-4-9(15-11(12)13)5-7(2)10(6)8(3)14/h4-5,11H,1-3H3
InChIKeyIEGVMMWOHQSLDO-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.11
Rot. Bonds3

About 1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone

1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone (PubChem CID 131525559) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
PubChem CID131525559
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
SMILESCC(=O)c1c(C)cc(OC(F)F)cc1C
InChIInChI=1S/C11H12F2O2/c1-6-4-9(15-11(12)13)5-7(2)10(6)8(3)14/h4-5,11H,1-3H3
InChIKeyIEGVMMWOHQSLDO-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone
CID 121228158
2-(bromomethyl)-4-(difluoromethoxy)-6-methylbenzoic acid
CID 171023844
4-(difluoromethoxy)-2,6-dimethylbenzaldehyde
CID 131524664
4-(difluoromethoxy)-2,6-dimethylaniline;hydrochloride
CID 117071645
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
5-(difluoromethoxy)-2-formyl-3-methylbenzoic acid
CID 171032097
1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 171032223
1,4-bis(difluoromethoxy)-2-methylbenzene
CID 71140593
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385
1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
CID 171014376
acetonitrile;2-bromo-1-(2,6-dimethyl-4-propan-2-yloxyphenyl)ethanone;1-(2,6-dimethyl-4-propan-2-yloxyphenyl)ethanone
CID 160806718
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone (CID 131525559) is 1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone is CC(=O)c1c(C)cc(OC(F)F)cc1C.
What is the InChIKey of 1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone?
The InChIKey is IEGVMMWOHQSLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-6-4-9(15-11(12)13)5-7(2)10(6)8(3)14/h4-5,11H,1-3H3.
What are the key properties of 1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone?
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone has a molecular weight of 214.21 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone is sourced from PubChem (CID 131525559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).