1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone

C11H11F3O2 — CID 171031684

IUPAC1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone
SMILESCCc1c(C(C)=O)ccc(OC(F)F)c1F
InChIInChI=1S/C11H11F3O2/c1-3-7-8(6(2)15)4-5-9(10(7)12)16-11(13)14/h4-5,11H,3H2,1-2H3
InChIKeyUDYKNGRSICTSFU-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.19
Rot. Bonds4

About 1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone

1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone (PubChem CID 171031684) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone
PubChem CID171031684
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone
SMILESCCc1c(C(C)=O)ccc(OC(F)F)c1F
InChIInChI=1S/C11H11F3O2/c1-3-7-8(6(2)15)4-5-9(10(7)12)16-11(13)14/h4-5,11H,3H2,1-2H3
InChIKeyUDYKNGRSICTSFU-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 171000586
4-(difluoromethoxy)-2,3-difluorobenzoic acid
CID 46311566
1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
CID 131093585
1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
CID 170996131
1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone
CID 131616132
4-(difluoromethoxy)-2-fluoro-3-methylbenzoic acid
CID 131290840
1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
CID 171031547
1-[5-(difluoromethoxy)-2-ethyl-4-nitrophenyl]ethanone
CID 171031781
1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone
CID 171031742
1-[3-(difluoromethoxy)-4-fluoro-2-methylphenyl]ethanone
CID 131615132
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone
CID 147717249

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone (CID 171031684) is 1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone is CCc1c(C(C)=O)ccc(OC(F)F)c1F.
What is the InChIKey of 1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone?
The InChIKey is UDYKNGRSICTSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-3-7-8(6(2)15)4-5-9(10(7)12)16-11(13)14/h4-5,11H,3H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone?
1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone has a molecular weight of 232.20 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone is sourced from PubChem (CID 171031684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).