1-(3,5-difluoro-4-methoxyphenyl)propan-1-one

C10H10F2O2 — CID 2737020

IUPAC1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(F)c(OC)c(F)c1
InChIInChI=1S/C10H10F2O2/c1-3-9(13)6-4-7(11)10(14-2)8(12)5-6/h4-5H,3H2,1-2H3
InChIKeyKTBXQCVNEFDUCP-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.57
Rot. Bonds3

About 1-(3,5-difluoro-4-methoxyphenyl)propan-1-one

1-(3,5-difluoro-4-methoxyphenyl)propan-1-one (PubChem CID 2737020) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
PubChem CID2737020
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(F)c(OC)c(F)c1
InChIInChI=1S/C10H10F2O2/c1-3-9(13)6-4-7(11)10(14-2)8(12)5-6/h4-5H,3H2,1-2H3
InChIKeyKTBXQCVNEFDUCP-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one
CID 174811184
1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one
CID 83952614
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
CID 14850156
1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one
CID 144811836
methyl 4-(3,5-difluoro-4-methoxyphenyl)-3-methyl-4-oxobutanoate
CID 137378003
3-(bromomethyl)-5-fluoro-4-methoxybenzoic acid
CID 171024750
ethyl 2-(3-bromo-5-fluoro-4-methoxyphenyl)-2-oxoacetate
CID 117490190
2-(3-fluoro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
CID 117304900
1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one
CID 162821469
1-(2-fluoro-5-methoxyphenyl)propan-1-one
CID 71322080

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)propan-1-one (CID 2737020) is 1-(3,5-difluoro-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3,5-difluoro-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3,5-difluoro-4-methoxyphenyl)propan-1-one is CCC(=O)c1cc(F)c(OC)c(F)c1.
What is the InChIKey of 1-(3,5-difluoro-4-methoxyphenyl)propan-1-one?
The InChIKey is KTBXQCVNEFDUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-3-9(13)6-4-7(11)10(14-2)8(12)5-6/h4-5H,3H2,1-2H3.
What are the key properties of 1-(3,5-difluoro-4-methoxyphenyl)propan-1-one?
1-(3,5-difluoro-4-methoxyphenyl)propan-1-one has a molecular weight of 200.18 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 2737020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).