6-fluoro-1-methylnaphthalene-2-carboxylic acid

C12H9FO2 — CID 115023270

IUPAC6-fluoro-1-methylnaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)ccc2cc(F)ccc12
InChIInChI=1S/C12H9FO2/c1-7-10-5-3-9(13)6-8(10)2-4-11(7)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyJVBAKSZTCJVTCR-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.99
Rot. Bonds1

About 6-fluoro-1-methylnaphthalene-2-carboxylic acid

6-fluoro-1-methylnaphthalene-2-carboxylic acid (PubChem CID 115023270) has the molecular formula C12H9FO2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 6-fluoro-1-methylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-methylnaphthalene-2-carboxylic acid
PubChem CID115023270
Molecular FormulaC12H9FO2
Molecular Weight204.20 g/mol
Exact Mass204.06
IUPAC Name6-fluoro-1-methylnaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)ccc2cc(F)ccc12
InChIInChI=1S/C12H9FO2/c1-7-10-5-3-9(13)6-8(10)2-4-11(7)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyJVBAKSZTCJVTCR-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methylnaphthalene-2-carboxylic acid?
The IUPAC name of 6-fluoro-1-methylnaphthalene-2-carboxylic acid (CID 115023270) is 6-fluoro-1-methylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-methylnaphthalene-2-carboxylic acid?
The canonical SMILES for 6-fluoro-1-methylnaphthalene-2-carboxylic acid is Cc1c(C(=O)O)ccc2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1-methylnaphthalene-2-carboxylic acid?
The InChIKey is JVBAKSZTCJVTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2/c1-7-10-5-3-9(13)6-8(10)2-4-11(7)12(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 6-fluoro-1-methylnaphthalene-2-carboxylic acid?
6-fluoro-1-methylnaphthalene-2-carboxylic acid has a molecular weight of 204.20 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 115023270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).