3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid

C9H8F2O3 — CID 84670427

IUPAC3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid
SMILESCOc1c(F)cc(CF)cc1C(=O)O
InChIInChI=1S/C9H8F2O3/c1-14-8-6(9(12)13)2-5(4-10)3-7(8)11/h2-3H,4H2,1H3,(H,12,13)
InChIKeyOPLSIWBVSJUEIS-UHFFFAOYSA-N
MW202.16 g/mol
LogP2.00
Rot. Bonds3

About 3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid

3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid (PubChem CID 84670427) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid
PubChem CID84670427
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid
SMILESCOc1c(F)cc(CF)cc1C(=O)O
InChIInChI=1S/C9H8F2O3/c1-14-8-6(9(12)13)2-5(4-10)3-7(8)11/h2-3H,4H2,1H3,(H,12,13)
InChIKeyOPLSIWBVSJUEIS-UHFFFAOYSA-N
XLogP2.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84669284
5-(3-carboxypropyl)-3-fluoro-2-methoxybenzoic acid
CID 117393487
3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)benzoic acid
CID 117424318
5-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117453356
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 83885726
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
4-fluoro-1-methoxynaphthalene-2-carboxylic acid
CID 66701185
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
4-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)butanoic acid
CID 117428637
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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid?
The IUPAC name of 3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid (CID 84670427) is 3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid.
What is the SMILES notation for 3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid?
The canonical SMILES for 3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid is COc1c(F)cc(CF)cc1C(=O)O.
What is the InChIKey of 3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid?
The InChIKey is OPLSIWBVSJUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-14-8-6(9(12)13)2-5(4-10)3-7(8)11/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid?
3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid has a molecular weight of 202.16 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid is sourced from PubChem (CID 84670427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).