5-(fluoromethyl)-2,4-dimethoxybenzoic acid

C10H11FO4 — CID 84680158

IUPAC5-(fluoromethyl)-2,4-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)cc1CF
InChIInChI=1S/C10H11FO4/c1-14-8-4-9(15-2)7(10(12)13)3-6(8)5-11/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyZSCDOJWFZHGESK-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.87
Rot. Bonds4

About 5-(fluoromethyl)-2,4-dimethoxybenzoic acid

5-(fluoromethyl)-2,4-dimethoxybenzoic acid (PubChem CID 84680158) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 5-(fluoromethyl)-2,4-dimethoxybenzoic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-2,4-dimethoxybenzoic acid
PubChem CID84680158
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name5-(fluoromethyl)-2,4-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)cc1CF
InChIInChI=1S/C10H11FO4/c1-14-8-4-9(15-2)7(10(12)13)3-6(8)5-11/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyZSCDOJWFZHGESK-UHFFFAOYSA-N
XLogP1.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-2-fluoro-4-methoxybenzoic acid
CID 171025252
5-bromo-4-(carboxymethyl)-2-methoxybenzoic acid
CID 67529429
5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxybenzoic acid;5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxybenzoyl chloride
CID 160694766
2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid
CID 117359338
4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid
CID 117325025
5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid
CID 117348722
4-(bromomethyl)-5-methoxy-2-methylbenzoic acid
CID 91311963
2-chloro-N-(diaminomethylidene)-5-(fluoromethyl)-4-methoxybenzamide
CID 139743685
5-(bromomethyl)-2-methoxy-4-nitrobenzoic acid
CID 171011243
5-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethoxybenzoic acid
CID 117388809
3-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117449673
ethyl 2-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117433352

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2,4-dimethoxybenzoic acid?
The IUPAC name of 5-(fluoromethyl)-2,4-dimethoxybenzoic acid (CID 84680158) is 5-(fluoromethyl)-2,4-dimethoxybenzoic acid.
What is the SMILES notation for 5-(fluoromethyl)-2,4-dimethoxybenzoic acid?
The canonical SMILES for 5-(fluoromethyl)-2,4-dimethoxybenzoic acid is COc1cc(OC)c(C(=O)O)cc1CF.
What is the InChIKey of 5-(fluoromethyl)-2,4-dimethoxybenzoic acid?
The InChIKey is ZSCDOJWFZHGESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-14-8-4-9(15-2)7(10(12)13)3-6(8)5-11/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 5-(fluoromethyl)-2,4-dimethoxybenzoic acid?
5-(fluoromethyl)-2,4-dimethoxybenzoic acid has a molecular weight of 214.19 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2,4-dimethoxybenzoic acid is sourced from PubChem (CID 84680158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).