3-(1-fluoroethenyl)benzoic acid

C9H7FO2 — CID 67591917

IUPAC3-(1-fluoroethenyl)benzoic acid
SMILESC=C(F)c1cccc(C(=O)O)c1
InChIInChI=1S/C9H7FO2/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H2,(H,11,12)
InChIKeyJQCQRRNZPFMYQL-UHFFFAOYSA-N
MW166.15 g/mol
LogP2.33
Rot. Bonds2

About 3-(1-fluoroethenyl)benzoic acid

3-(1-fluoroethenyl)benzoic acid (PubChem CID 67591917) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 3-(1-fluoroethenyl)benzoic acid.

Molecular Properties

Compound Name3-(1-fluoroethenyl)benzoic acid
PubChem CID67591917
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Name3-(1-fluoroethenyl)benzoic acid
SMILESC=C(F)c1cccc(C(=O)O)c1
InChIInChI=1S/C9H7FO2/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H2,(H,11,12)
InChIKeyJQCQRRNZPFMYQL-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
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benzene-1,3-dicarboxylic acid;rhodium
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CID 139146863
CID 139146863
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
benzene-1,3-dicarboxylic acid;dichlorotitanium
CID 22957310
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
benzene-1,3-dicarboxylic acid;bis(oxovanadium)
CID 175058982
3-(3-carboxybenzoyl)benzoic acid
CID 754396
benzene-1,3-dicarboxylic acid;2-hydroperoxy-2-methylpropane
CID 158865175
CID 159629695
CID 159629695

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethenyl)benzoic acid?
The IUPAC name of 3-(1-fluoroethenyl)benzoic acid (CID 67591917) is 3-(1-fluoroethenyl)benzoic acid.
What is the SMILES notation for 3-(1-fluoroethenyl)benzoic acid?
The canonical SMILES for 3-(1-fluoroethenyl)benzoic acid is C=C(F)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(1-fluoroethenyl)benzoic acid?
The InChIKey is JQCQRRNZPFMYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H2,(H,11,12).
What are the key properties of 3-(1-fluoroethenyl)benzoic acid?
3-(1-fluoroethenyl)benzoic acid has a molecular weight of 166.15 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethenyl)benzoic acid is sourced from PubChem (CID 67591917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).