2-fluoro-6-methylbenzoic acid

C8H7FO2 — CID 13478132

IUPAC2-fluoro-6-methylbenzoic acid
SMILESCc1cccc(F)c1C(=O)O
InChIInChI=1S/C8H7FO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKeyWELNSIYTQJSNRP-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.83
Rot. Bonds1

About 2-fluoro-6-methylbenzoic acid

2-fluoro-6-methylbenzoic acid (PubChem CID 13478132) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 2-fluoro-6-methylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-6-methylbenzoic acid
PubChem CID13478132
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Name2-fluoro-6-methylbenzoic acid
SMILESCc1cccc(F)c1C(=O)O
InChIInChI=1S/C8H7FO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKeyWELNSIYTQJSNRP-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
1-(2-fluoro-6-methylphenyl)prop-2-yn-1-one
CID 166111651
lithium;2-(diethylamino)-6-methylbenzoic acid;diethylazanide;2,6-difluorobenzoic acid
CID 158181217
3-fluoro-2-hydroxy-6-methylbenzoic acid
CID 64855766
ethane;1-fluoro-3-methyl-2-prop-1-en-2-ylbenzene
CID 163302643
2-fluoro-6-methyl-N-methylsulfinylbenzamide
CID 169268764
2,6-dimethylbenzoyl fluoride
CID 23235034
propyl 2-fluoro-6-methylbenzoate
CID 135122544
2-fluoro-6-(hydroxymethyl)benzoic acid
CID 46831349
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
sodium;(2-carboxy-3-methylphenyl)mercury;hydrate
CID 6452728
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
CID 79511660

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methylbenzoic acid?
The IUPAC name of 2-fluoro-6-methylbenzoic acid (CID 13478132) is 2-fluoro-6-methylbenzoic acid.
What is the SMILES notation for 2-fluoro-6-methylbenzoic acid?
The canonical SMILES for 2-fluoro-6-methylbenzoic acid is Cc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-methylbenzoic acid?
The InChIKey is WELNSIYTQJSNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11).
What are the key properties of 2-fluoro-6-methylbenzoic acid?
2-fluoro-6-methylbenzoic acid has a molecular weight of 154.14 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methylbenzoic acid is sourced from PubChem (CID 13478132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).