1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one

C11H10F4O2 — CID 174811184

IUPAC1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(OCC(F)F)c(F)c1
InChIInChI=1S/C11H10F4O2/c1-2-9(16)6-3-7(12)11(8(13)4-6)17-5-10(14)15/h3-4,10H,2,5H2,1H3
InChIKeyHXBMLHHFOKJPMD-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.20
Rot. Bonds5

About 1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one

1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one (PubChem CID 174811184) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one
PubChem CID174811184
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(OCC(F)F)c(F)c1
InChIInChI=1S/C11H10F4O2/c1-2-9(16)6-3-7(12)11(8(13)4-6)17-5-10(14)15/h3-4,10H,2,5H2,1H3
InChIKeyHXBMLHHFOKJPMD-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
CID 2737020
2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene
CID 155575031
4-(3-ethoxy-2-hydroxypropoxy)-3,5-difluorobenzoic acid
CID 79892068
N-[[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]methyl]propan-1-amine
CID 79891944
1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one
CID 174687394
1-[3-(difluoromethyl)-5-ethoxyphenyl]propan-1-one
CID 118813186
1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
CID 60921638
1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one
CID 144811836
1-(3,5-difluoro-4-pentoxyphenyl)ethanone
CID 91657642
4-butan-2-yloxy-3,5-difluorobenzoic acid
CID 63183576
1-[4-(3-chloropropoxy)-3,5-difluorophenyl]-4-ethoxy-4-hydroxybutan-1-one
CID 163618896
4-(1-ethoxypropan-2-yloxy)-3,5-difluorobenzoic acid
CID 103487163

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one?
The IUPAC name of 1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one (CID 174811184) is 1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one.
What is the SMILES notation for 1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one?
The canonical SMILES for 1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one is CCC(=O)c1cc(F)c(OCC(F)F)c(F)c1.
What is the InChIKey of 1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one?
The InChIKey is HXBMLHHFOKJPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c1-2-9(16)6-3-7(12)11(8(13)4-6)17-5-10(14)15/h3-4,10H,2,5H2,1H3.
What are the key properties of 1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one?
1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one has a molecular weight of 250.19 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one is sourced from PubChem (CID 174811184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).