2-ethyl-4-fluorobenzoic acid

C9H9FO2 — CID 22101376

IUPAC2-ethyl-4-fluorobenzoic acid
SMILESCCc1cc(F)ccc1C(=O)O
InChIInChI=1S/C9H9FO2/c1-2-6-5-7(10)3-4-8(6)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChIKeyPIKHUBKXBROZTO-UHFFFAOYSA-N
MW168.17 g/mol
LogP2.09
Rot. Bonds2

About 2-ethyl-4-fluorobenzoic acid

2-ethyl-4-fluorobenzoic acid (PubChem CID 22101376) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-ethyl-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-ethyl-4-fluorobenzoic acid
PubChem CID22101376
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-ethyl-4-fluorobenzoic acid
SMILESCCc1cc(F)ccc1C(=O)O
InChIInChI=1S/C9H9FO2/c1-2-6-5-7(10)3-4-8(6)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChIKeyPIKHUBKXBROZTO-UHFFFAOYSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluorobenzoic acid?
The IUPAC name of 2-ethyl-4-fluorobenzoic acid (CID 22101376) is 2-ethyl-4-fluorobenzoic acid.
What is the SMILES notation for 2-ethyl-4-fluorobenzoic acid?
The canonical SMILES for 2-ethyl-4-fluorobenzoic acid is CCc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-4-fluorobenzoic acid?
The InChIKey is PIKHUBKXBROZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-2-6-5-7(10)3-4-8(6)9(11)12/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-4-fluorobenzoic acid?
2-ethyl-4-fluorobenzoic acid has a molecular weight of 168.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluorobenzoic acid is sourced from PubChem (CID 22101376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).