1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one

C11H13FO2 — CID 84666859

IUPAC1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
SMILESCOc1cccc(CC(C)=O)c1CF
InChIInChI=1S/C11H13FO2/c1-8(13)6-9-4-3-5-11(14-2)10(9)7-12/h3-5H,6-7H2,1-2H3
InChIKeyCAOUBTLYKDZJOI-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.30
Rot. Bonds4

About 1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one

1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one (PubChem CID 84666859) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
PubChem CID84666859
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
SMILESCOc1cccc(CC(C)=O)c1CF
InChIInChI=1S/C11H13FO2/c1-8(13)6-9-4-3-5-11(14-2)10(9)7-12/h3-5H,6-7H2,1-2H3
InChIKeyCAOUBTLYKDZJOI-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
CID 84767792
1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine
CID 117302009
3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid
CID 117302932
1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
CID 56654613
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
(2-hydroxy-6-methoxyphenyl)methyl acetate
CID 162054633
1-[2-(fluoromethyl)-6-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117321562
ethyl 2-[2-(fluoromethyl)-6-methoxyphenyl]-2-oxoacetate
CID 117352678
2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid
CID 118826177
1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine
CID 117302010
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117348893
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180

Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one?
The IUPAC name of 1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one (CID 84666859) is 1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one.
What is the SMILES notation for 1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one?
The canonical SMILES for 1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one is COc1cccc(CC(C)=O)c1CF.
What is the InChIKey of 1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one?
The InChIKey is CAOUBTLYKDZJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8(13)6-9-4-3-5-11(14-2)10(9)7-12/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one?
1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one has a molecular weight of 196.22 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one is sourced from PubChem (CID 84666859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).