1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone

C11H10F2O2 — CID 63908587

IUPAC1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone
SMILESO=C(COc1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C11H10F2O2/c12-8-3-9(13)5-10(4-8)15-6-11(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyCVMLOSAQRBZAIP-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.32
Rot. Bonds4

About 1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone

1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone (PubChem CID 63908587) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone
PubChem CID63908587
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone
SMILESO=C(COc1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C11H10F2O2/c12-8-3-9(13)5-10(4-8)15-6-11(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyCVMLOSAQRBZAIP-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone
CID 113449047
2-(3,5-difluorophenoxy)acetyl chloride
CID 168917412
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone
CID 63904794
1-(3,5-difluorophenoxy)-3-methoxypropan-2-one
CID 107508147
1-(3,5-difluorophenoxy)-3,3-dimethylbutan-2-one
CID 62784864
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate
CID 63921373
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
CID 115733445
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263
4-(2-cyclopentyl-2-oxoethoxy)-2-fluorobenzonitrile
CID 113241516

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone?
The IUPAC name of 1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone (CID 63908587) is 1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone is O=C(COc1cc(F)cc(F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone?
The InChIKey is CVMLOSAQRBZAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-8-3-9(13)5-10(4-8)15-6-11(14)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone?
1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone has a molecular weight of 212.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone is sourced from PubChem (CID 63908587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).