4-fluoronaphthalene-2-carboxylic acid

C11H7FO2 — CID 71354438

IUPAC4-fluoronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(F)c2ccccc2c1
InChIInChI=1S/C11H7FO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6H,(H,13,14)
InChIKeyOHUWXPXKWRJJFR-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.68
Rot. Bonds1

About 4-fluoronaphthalene-2-carboxylic acid

4-fluoronaphthalene-2-carboxylic acid (PubChem CID 71354438) has the molecular formula C11H7FO2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 4-fluoronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoronaphthalene-2-carboxylic acid
PubChem CID71354438
Molecular FormulaC11H7FO2
Molecular Weight190.17 g/mol
Exact Mass190.04
IUPAC Name4-fluoronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(F)c2ccccc2c1
InChIInChI=1S/C11H7FO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6H,(H,13,14)
InChIKeyOHUWXPXKWRJJFR-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 4-fluoronaphthalene-2-carboxylic acid?
The IUPAC name of 4-fluoronaphthalene-2-carboxylic acid (CID 71354438) is 4-fluoronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-fluoronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-fluoronaphthalene-2-carboxylic acid is O=C(O)c1cc(F)c2ccccc2c1.
What is the InChIKey of 4-fluoronaphthalene-2-carboxylic acid?
The InChIKey is OHUWXPXKWRJJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6H,(H,13,14).
What are the key properties of 4-fluoronaphthalene-2-carboxylic acid?
4-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 4-fluoronaphthalene-2-carboxylic acid is sourced from PubChem (CID 71354438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).