1-(3-fluoro-2-methoxyphenyl)propan-1-one

C10H11FO2 — CID 69108587

IUPAC1-(3-fluoro-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cccc(F)c1OC
InChIInChI=1S/C10H11FO2/c1-3-9(12)7-5-4-6-8(11)10(7)13-2/h4-6H,3H2,1-2H3
InChIKeyDGNZZESRUQVBQA-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.43
Rot. Bonds3

About 1-(3-fluoro-2-methoxyphenyl)propan-1-one

1-(3-fluoro-2-methoxyphenyl)propan-1-one (PubChem CID 69108587) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-(3-fluoro-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-2-methoxyphenyl)propan-1-one
PubChem CID69108587
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name1-(3-fluoro-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cccc(F)c1OC
InChIInChI=1S/C10H11FO2/c1-3-9(12)7-5-4-6-8(11)10(7)13-2/h4-6H,3H2,1-2H3
InChIKeyDGNZZESRUQVBQA-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-methoxyphenyl)butan-1-one
CID 66969417
bis(3-fluoro-2-methoxyphenyl)methanone
CID 174934550
1-[3-(bromomethyl)-2-methoxyphenyl]propan-1-one
CID 118843636
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
1-(2-ethyl-3-fluorophenyl)propan-1-one
CID 118801897
1-(3-fluoro-2-iodophenyl)propan-1-one
CID 118798307
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one
CID 146008444
3-chloro-1-(3-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 146008428
1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
CID 14850156
methyl 2-fluoro-3-propanoylbenzoate
CID 178189126
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(3-fluoro-2-methoxyphenyl)propan-1-one (CID 69108587) is 1-(3-fluoro-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-fluoro-2-methoxyphenyl)propan-1-one is CCC(=O)c1cccc(F)c1OC.
What is the InChIKey of 1-(3-fluoro-2-methoxyphenyl)propan-1-one?
The InChIKey is DGNZZESRUQVBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-3-9(12)7-5-4-6-8(11)10(7)13-2/h4-6H,3H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-methoxyphenyl)propan-1-one?
1-(3-fluoro-2-methoxyphenyl)propan-1-one has a molecular weight of 182.19 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 69108587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).