6-fluoronaphthalene-2-carboxylic acid

C11H7FO2 — CID 2782788

IUPAC6-fluoronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(F)ccc2c1
InChIInChI=1S/C11H7FO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
InChIKeyCYKDCZRPLWJEKA-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.68
Rot. Bonds1

About 6-fluoronaphthalene-2-carboxylic acid

6-fluoronaphthalene-2-carboxylic acid (PubChem CID 2782788) has the molecular formula C11H7FO2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 6-fluoronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoronaphthalene-2-carboxylic acid
PubChem CID2782788
Molecular FormulaC11H7FO2
Molecular Weight190.17 g/mol
Exact Mass190.04
IUPAC Name6-fluoronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(F)ccc2c1
InChIInChI=1S/C11H7FO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
InChIKeyCYKDCZRPLWJEKA-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 6-fluoronaphthalene-2-carboxylic acid?
The IUPAC name of 6-fluoronaphthalene-2-carboxylic acid (CID 2782788) is 6-fluoronaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-fluoronaphthalene-2-carboxylic acid?
The canonical SMILES for 6-fluoronaphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(F)ccc2c1.
What is the InChIKey of 6-fluoronaphthalene-2-carboxylic acid?
The InChIKey is CYKDCZRPLWJEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14).
What are the key properties of 6-fluoronaphthalene-2-carboxylic acid?
6-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 6-fluoronaphthalene-2-carboxylic acid is sourced from PubChem (CID 2782788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).