3-fluoronaphthalene-2-carboxylic acid

C11H7FO2 — CID 22728898

IUPAC3-fluoronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1F
InChIInChI=1S/C11H7FO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14)
InChIKeyVDXLBIXGGFGMRQ-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.68
Rot. Bonds1

About 3-fluoronaphthalene-2-carboxylic acid

3-fluoronaphthalene-2-carboxylic acid (PubChem CID 22728898) has the molecular formula C11H7FO2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 3-fluoronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoronaphthalene-2-carboxylic acid
PubChem CID22728898
Molecular FormulaC11H7FO2
Molecular Weight190.17 g/mol
Exact Mass190.04
IUPAC Name3-fluoronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1F
InChIInChI=1S/C11H7FO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14)
InChIKeyVDXLBIXGGFGMRQ-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoronaphthalene-2-carboxylic acid?
The IUPAC name of 3-fluoronaphthalene-2-carboxylic acid (CID 22728898) is 3-fluoronaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-fluoronaphthalene-2-carboxylic acid?
The canonical SMILES for 3-fluoronaphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1F.
What is the InChIKey of 3-fluoronaphthalene-2-carboxylic acid?
The InChIKey is VDXLBIXGGFGMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14).
What are the key properties of 3-fluoronaphthalene-2-carboxylic acid?
3-fluoronaphthalene-2-carboxylic acid has a molecular weight of 190.17 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoronaphthalene-2-carboxylic acid is sourced from PubChem (CID 22728898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).