4-chloro-3-ethyl-2-fluorobenzoic acid

C9H8ClFO2 — CID 171366815

IUPAC4-chloro-3-ethyl-2-fluorobenzoic acid
SMILESCCc1c(Cl)ccc(C(=O)O)c1F
InChIInChI=1S/C9H8ClFO2/c1-2-5-7(10)4-3-6(8(5)11)9(12)13/h3-4H,2H2,1H3,(H,12,13)
InChIKeyWEDAUZNCJLJLLL-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.74
Rot. Bonds2

About 4-chloro-3-ethyl-2-fluorobenzoic acid

4-chloro-3-ethyl-2-fluorobenzoic acid (PubChem CID 171366815) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 4-chloro-3-ethyl-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-chloro-3-ethyl-2-fluorobenzoic acid
PubChem CID171366815
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name4-chloro-3-ethyl-2-fluorobenzoic acid
SMILESCCc1c(Cl)ccc(C(=O)O)c1F
InChIInChI=1S/C9H8ClFO2/c1-2-5-7(10)4-3-6(8(5)11)9(12)13/h3-4H,2H2,1H3,(H,12,13)
InChIKeyWEDAUZNCJLJLLL-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-ethyl-3-hydroxybenzoic acid
CID 174469710
4-chloro-3-fluoro-2-methylbenzoic acid
CID 15218738
4-chloro-2-fluoro-3-methylsulfanylbenzoic acid
CID 54132041
2,4-dichloro-3-propylbenzoic acid
CID 67726803
2-(4-chloro-3-ethyl-2-methylphenyl)-2-oxoacetic acid
CID 73011943
4-chloro-3-(difluoromethyl)-2-fluorobenzoic acid
CID 163198095
4-chloro-3-(ethylsulfanylmethyl)-2-methylsulfanylbenzoic acid
CID 18950329
2-amino-4-chloro-3-fluorobenzoic acid
CID 28974171
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
2-ethyl-3-fluorobenzoic acid
CID 52911005
2-(4-chloro-2-ethyl-3-methylphenyl)-2-oxoacetic acid
CID 73011947
3-chloro-2-fluoro-4-hydroxybenzoic acid
CID 11735652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-2-fluorobenzoic acid?
The IUPAC name of 4-chloro-3-ethyl-2-fluorobenzoic acid (CID 171366815) is 4-chloro-3-ethyl-2-fluorobenzoic acid.
What is the SMILES notation for 4-chloro-3-ethyl-2-fluorobenzoic acid?
The canonical SMILES for 4-chloro-3-ethyl-2-fluorobenzoic acid is CCc1c(Cl)ccc(C(=O)O)c1F.
What is the InChIKey of 4-chloro-3-ethyl-2-fluorobenzoic acid?
The InChIKey is WEDAUZNCJLJLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-2-5-7(10)4-3-6(8(5)11)9(12)13/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 4-chloro-3-ethyl-2-fluorobenzoic acid?
4-chloro-3-ethyl-2-fluorobenzoic acid has a molecular weight of 202.61 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-2-fluorobenzoic acid is sourced from PubChem (CID 171366815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).