5-ethyl-2-fluoro-4-methylbenzoic acid

C10H11FO2 — CID 118515389

IUPAC5-ethyl-2-fluoro-4-methylbenzoic acid
SMILESCCc1cc(C(=O)O)c(F)cc1C
InChIInChI=1S/C10H11FO2/c1-3-7-5-8(10(12)13)9(11)4-6(7)2/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyUXOIVINFDPVPBF-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.39
Rot. Bonds2

About 5-ethyl-2-fluoro-4-methylbenzoic acid

5-ethyl-2-fluoro-4-methylbenzoic acid (PubChem CID 118515389) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-methylbenzoic acid.

Molecular Properties

Compound Name5-ethyl-2-fluoro-4-methylbenzoic acid
PubChem CID118515389
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name5-ethyl-2-fluoro-4-methylbenzoic acid
SMILESCCc1cc(C(=O)O)c(F)cc1C
InChIInChI=1S/C10H11FO2/c1-3-7-5-8(10(12)13)9(11)4-6(7)2/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyUXOIVINFDPVPBF-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-carboxyethyl)-2-fluoro-4-methylbenzoic acid
CID 117324857
ethane;5-ethyl-2,4-dimethylbenzoic acid
CID 142198563
5-(3-carboxypropyl)-2-fluoro-4-methylbenzoic acid
CID 117352745
5-bromo-4-ethyl-2-fluorobenzoic acid
CID 58909932
1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone
CID 117278348
2-fluoro-5-formyl-4-methylbenzoic acid
CID 115016078
4-ethoxycarbonyl-2,5-difluorobenzoic acid
CID 22961761
5-(bromomethyl)-2,4-difluorobenzoic acid
CID 66524399
5-(chloromethyl)-2,4-difluorobenzoic acid
CID 112693918
2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid
CID 117287628
5-(4-aminobutyl)-4-fluoro-2-methylbenzoic acid
CID 117323433
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-4-methylbenzoic acid?
The IUPAC name of 5-ethyl-2-fluoro-4-methylbenzoic acid (CID 118515389) is 5-ethyl-2-fluoro-4-methylbenzoic acid.
What is the SMILES notation for 5-ethyl-2-fluoro-4-methylbenzoic acid?
The canonical SMILES for 5-ethyl-2-fluoro-4-methylbenzoic acid is CCc1cc(C(=O)O)c(F)cc1C.
What is the InChIKey of 5-ethyl-2-fluoro-4-methylbenzoic acid?
The InChIKey is UXOIVINFDPVPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-3-7-5-8(10(12)13)9(11)4-6(7)2/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-ethyl-2-fluoro-4-methylbenzoic acid?
5-ethyl-2-fluoro-4-methylbenzoic acid has a molecular weight of 182.19 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-4-methylbenzoic acid is sourced from PubChem (CID 118515389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).