1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone

C11H12F2O2 — CID 170996692

IUPAC1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone
SMILESCCOc1cccc(C(F)F)c1C(C)=O
InChIInChI=1S/C11H12F2O2/c1-3-15-9-6-4-5-8(11(12)13)10(9)7(2)14/h4-6,11H,3H2,1-2H3
InChIKeyNNHCZXMMJQYNMI-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.23
Rot. Bonds4

About 1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone

1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone (PubChem CID 170996692) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone
PubChem CID170996692
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone
SMILESCCOc1cccc(C(F)F)c1C(C)=O
InChIInChI=1S/C11H12F2O2/c1-3-15-9-6-4-5-8(11(12)13)10(9)7(2)14/h4-6,11H,3H2,1-2H3
InChIKeyNNHCZXMMJQYNMI-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-6-ethylphenyl)ethanone
CID 147544535
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone
CID 171002747
2-(1-chloro-2-oxopropyl)-6-ethoxybenzoic acid
CID 170837659
3-bromo-1-(2,6-diethoxyphenyl)propan-1-one
CID 134624450
1-[2,6-bis(hydroxymethoxy)phenyl]ethanone
CID 69072315
3-bromo-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-one
CID 134625176
1-chloro-1-(3-ethoxy-2-fluorophenyl)propan-2-one
CID 131595691
1-(2,3-dichloro-6-ethoxyphenyl)ethanone
CID 171007787
1-[4-amino-3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171028104
1-[4-bromo-3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171001045
3-(2-ethoxyphenyl)-2-fluorobutanoic acid
CID 81358272

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone?
The IUPAC name of 1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone (CID 170996692) is 1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone is CCOc1cccc(C(F)F)c1C(C)=O.
What is the InChIKey of 1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone?
The InChIKey is NNHCZXMMJQYNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-3-15-9-6-4-5-8(11(12)13)10(9)7(2)14/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone?
1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone has a molecular weight of 214.21 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone is sourced from PubChem (CID 170996692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).