2-fluoro-3,4-dimethylbenzoic acid

C9H9FO2 — CID 58240541

IUPAC2-fluoro-3,4-dimethylbenzoic acid
SMILESCc1ccc(C(=O)O)c(F)c1C
InChIInChI=1S/C9H9FO2/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4H,1-2H3,(H,11,12)
InChIKeyHBDRNIIXXCVZFZ-UHFFFAOYSA-N
MW168.17 g/mol
LogP2.14
Rot. Bonds1

About 2-fluoro-3,4-dimethylbenzoic acid

2-fluoro-3,4-dimethylbenzoic acid (PubChem CID 58240541) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-fluoro-3,4-dimethylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-3,4-dimethylbenzoic acid
PubChem CID58240541
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-fluoro-3,4-dimethylbenzoic acid
SMILESCc1ccc(C(=O)O)c(F)c1C
InChIInChI=1S/C9H9FO2/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4H,1-2H3,(H,11,12)
InChIKeyHBDRNIIXXCVZFZ-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-chloro-3-fluoro-2-methylbenzoic acid
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4-(difluoromethoxy)-2-fluoro-3-methylbenzoic acid
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2,3-difluoro-4-methylbenzenesulfonamide;2,3-difluoro-4-sulfamoylbenzoic acid
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3-fluoro-2,4-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,4-dimethylbenzoic acid?
The IUPAC name of 2-fluoro-3,4-dimethylbenzoic acid (CID 58240541) is 2-fluoro-3,4-dimethylbenzoic acid.
What is the SMILES notation for 2-fluoro-3,4-dimethylbenzoic acid?
The canonical SMILES for 2-fluoro-3,4-dimethylbenzoic acid is Cc1ccc(C(=O)O)c(F)c1C.
What is the InChIKey of 2-fluoro-3,4-dimethylbenzoic acid?
The InChIKey is HBDRNIIXXCVZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4H,1-2H3,(H,11,12).
What are the key properties of 2-fluoro-3,4-dimethylbenzoic acid?
2-fluoro-3,4-dimethylbenzoic acid has a molecular weight of 168.17 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4-dimethylbenzoic acid is sourced from PubChem (CID 58240541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).