1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone

C10H10F2O2 — CID 84669284

IUPAC1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
SMILESCOc1c(F)cc(CF)cc1C(C)=O
InChIInChI=1S/C10H10F2O2/c1-6(13)8-3-7(5-11)4-9(12)10(8)14-2/h3-4H,5H2,1-2H3
InChIKeyXQBXJACIVYLDBX-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.51
Rot. Bonds3

About 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone

1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone (PubChem CID 84669284) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
PubChem CID84669284
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
SMILESCOc1c(F)cc(CF)cc1C(C)=O
InChIInChI=1S/C10H10F2O2/c1-6(13)8-3-7(5-11)4-9(12)10(8)14-2/h3-4H,5H2,1-2H3
InChIKeyXQBXJACIVYLDBX-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid
CID 84670427
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 83885726
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
1-(3-fluoro-2-methoxy-5-nitrophenyl)ethanone
CID 117303485
3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one
CID 117323328
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 117326430
N-[[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]methyl]hydroxylamine
CID 117291324
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
methyl 5-(cyanomethyl)-3-fluoro-2-methoxybenzoate
CID 117319076
5-(3-carboxypropyl)-3-fluoro-2-methoxybenzoic acid
CID 117393487
5-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117453356
1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one
CID 117287591

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone (CID 84669284) is 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone is COc1c(F)cc(CF)cc1C(C)=O.
What is the InChIKey of 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone?
The InChIKey is XQBXJACIVYLDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6(13)8-3-7(5-11)4-9(12)10(8)14-2/h3-4H,5H2,1-2H3.
What are the key properties of 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone?
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone has a molecular weight of 200.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone is sourced from PubChem (CID 84669284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).