2-fluorobenzoic acid

C7H5FO2 — CID 9935

IUPAC2-fluorobenzoic acid
SMILESO=C(O)c1ccccc1F
InChIInChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKeyNSTREUWFTAOOKS-UHFFFAOYSA-N
MW140.11 g/mol
LogP1.52
Rot. Bonds1

About 2-fluorobenzoic acid

2-fluorobenzoic acid (PubChem CID 9935) has the molecular formula C7H5FO2 and a molecular weight of 140.11 g/mol. Its IUPAC name is 2-fluorobenzoic acid.

Molecular Properties

Compound Name2-fluorobenzoic acid
PubChem CID9935
Molecular FormulaC7H5FO2
Molecular Weight140.11 g/mol
Exact Mass140.03
IUPAC Name2-fluorobenzoic acid
SMILESO=C(O)c1ccccc1F
InChIInChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKeyNSTREUWFTAOOKS-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobenzoic acid?
The IUPAC name of 2-fluorobenzoic acid (CID 9935) is 2-fluorobenzoic acid.
What is the SMILES notation for 2-fluorobenzoic acid?
The canonical SMILES for 2-fluorobenzoic acid is O=C(O)c1ccccc1F.
What is the InChIKey of 2-fluorobenzoic acid?
The InChIKey is NSTREUWFTAOOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10).
What are the key properties of 2-fluorobenzoic acid?
2-fluorobenzoic acid has a molecular weight of 140.11 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobenzoic acid is sourced from PubChem (CID 9935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).