1-(3,5-difluorophenoxy)-3-methoxypropan-2-one

C10H10F2O3 — CID 107508147

IUPAC1-(3,5-difluorophenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2O3/c1-14-5-9(13)6-15-10-3-7(11)2-8(12)4-10/h2-4H,5-6H2,1H3
InChIKeyWNRRZNODDLBYDU-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.56
Rot. Bonds5

About 1-(3,5-difluorophenoxy)-3-methoxypropan-2-one

1-(3,5-difluorophenoxy)-3-methoxypropan-2-one (PubChem CID 107508147) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 1-(3,5-difluorophenoxy)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenoxy)-3-methoxypropan-2-one
PubChem CID107508147
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name1-(3,5-difluorophenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2O3/c1-14-5-9(13)6-15-10-3-7(11)2-8(12)4-10/h2-4H,5-6H2,1H3
InChIKeyWNRRZNODDLBYDU-UHFFFAOYSA-N
XLogP1.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one
CID 107507960
1-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropan-2-one
CID 107508114
2-(3,5-difluorophenoxy)acetyl chloride
CID 168917412
1-(3,5-difluorophenoxy)-3,3-dimethylbutan-2-one
CID 62784864
2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide
CID 91620381
4-(3,5-difluorophenyl)-1-methoxybutan-2-one
CID 105404509
3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide
CID 107508253
1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone
CID 63908587
tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate
CID 70843236
4-(3-bromo-5-fluorophenoxy)-3-oxobutanoic acid
CID 166063563
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
CID 62785613

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenoxy)-3-methoxypropan-2-one?
The IUPAC name of 1-(3,5-difluorophenoxy)-3-methoxypropan-2-one (CID 107508147) is 1-(3,5-difluorophenoxy)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(3,5-difluorophenoxy)-3-methoxypropan-2-one?
The canonical SMILES for 1-(3,5-difluorophenoxy)-3-methoxypropan-2-one is COCC(=O)COc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenoxy)-3-methoxypropan-2-one?
The InChIKey is WNRRZNODDLBYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-14-5-9(13)6-15-10-3-7(11)2-8(12)4-10/h2-4H,5-6H2,1H3.
What are the key properties of 1-(3,5-difluorophenoxy)-3-methoxypropan-2-one?
1-(3,5-difluorophenoxy)-3-methoxypropan-2-one has a molecular weight of 216.18 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenoxy)-3-methoxypropan-2-one is sourced from PubChem (CID 107508147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).