1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one

C11H12F2O2 — CID 59682159

IUPAC1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H12F2O2/c1-7(2)10(14)8-4-3-5-9(6-8)15-11(12)13/h3-7,11H,1-2H3
InChIKeyVMMDVHWDPBPJCQ-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.13
Rot. Bonds4

About 1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one

1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one (PubChem CID 59682159) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
PubChem CID59682159
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H12F2O2/c1-7(2)10(14)8-4-3-5-9(6-8)15-11(12)13/h3-7,11H,1-2H3
InChIKeyVMMDVHWDPBPJCQ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(difluoromethoxy)phenyl]-2-methyl-3-oxopropanenitrile
CID 43157235
1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
CID 171472865
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
2-chloro-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 146008921
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3-amino-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 81463565
(Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol
CID 103971224
3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine
CID 76996884
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide
CID 113304412
[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone
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N-(4-bromo-2-methylbutyl)-3-(difluoromethoxy)benzamide
CID 114316820

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one (CID 59682159) is 1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one is CC(C)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one?
The InChIKey is VMMDVHWDPBPJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7(2)10(14)8-4-3-5-9(6-8)15-11(12)13/h3-7,11H,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one?
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one has a molecular weight of 214.21 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 59682159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).