1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one

C11H12F2O2 — CID 118835704

IUPAC1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one
SMILESCC(=O)Cc1c(C)cccc1OC(F)F
InChIInChI=1S/C11H12F2O2/c1-7-4-3-5-10(15-11(12)13)9(7)6-8(2)14/h3-5,11H,6H2,1-2H3
InChIKeyVVVXKEGESWUUHH-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.73
Rot. Bonds4

About 1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one

1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one (PubChem CID 118835704) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one
PubChem CID118835704
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one
SMILESCC(=O)Cc1c(C)cccc1OC(F)F
InChIInChI=1S/C11H12F2O2/c1-7-4-3-5-10(15-11(12)13)9(7)6-8(2)14/h3-5,11H,6H2,1-2H3
InChIKeyVVVXKEGESWUUHH-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)-6-sulfanylphenyl]propan-2-one
CID 118830051
1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one
CID 118818764
2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid
CID 118826177
1-(difluoromethoxy)-2-ethyl-3-methylbenzene
CID 118269125
1-(2-fluoro-6-methylphenyl)propan-2-one
CID 84765067
2-(difluoromethoxy)-6-(2-oxopropyl)benzonitrile
CID 118808954
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118852546
ethyl 2-(3-chloro-2-oxopropyl)-3-(difluoromethoxy)benzoate
CID 134643009
1-bromo-3-[3-(difluoromethoxy)-2-methylphenyl]propan-2-one
CID 134616416
ethyl 2-[2-(chloromethyl)-6-(difluoromethoxy)-3-methylphenyl]acetate
CID 171019073

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one?
The IUPAC name of 1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one (CID 118835704) is 1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one?
The canonical SMILES for 1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one is CC(=O)Cc1c(C)cccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one?
The InChIKey is VVVXKEGESWUUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7-4-3-5-10(15-11(12)13)9(7)6-8(2)14/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one?
1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one has a molecular weight of 214.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one is sourced from PubChem (CID 118835704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).