3-(2-fluorophenyl)naphthalene-2-carboxylic acid

C17H11FO2 — CID 171127463

IUPAC3-(2-fluorophenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1-c1ccccc1F
InChIInChI=1S/C17H11FO2/c18-16-8-4-3-7-13(16)14-9-11-5-1-2-6-12(11)10-15(14)17(19)20/h1-10H,(H,19,20)
InChIKeyUQJRWGAJIGEADG-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.34
Rot. Bonds2

About 3-(2-fluorophenyl)naphthalene-2-carboxylic acid

3-(2-fluorophenyl)naphthalene-2-carboxylic acid (PubChem CID 171127463) has the molecular formula C17H11FO2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)naphthalene-2-carboxylic acid
PubChem CID171127463
Molecular FormulaC17H11FO2
Molecular Weight266.27 g/mol
Exact Mass266.07
IUPAC Name3-(2-fluorophenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1-c1ccccc1F
InChIInChI=1S/C17H11FO2/c18-16-8-4-3-7-13(16)14-9-11-5-1-2-6-12(11)10-15(14)17(19)20/h1-10H,(H,19,20)
InChIKeyUQJRWGAJIGEADG-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)naphthalene-2-carboxylic acid (CID 171127463) is 3-(2-fluorophenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)naphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)naphthalene-2-carboxylic acid?
The InChIKey is UQJRWGAJIGEADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO2/c18-16-8-4-3-7-13(16)14-9-11-5-1-2-6-12(11)10-15(14)17(19)20/h1-10H,(H,19,20).
What are the key properties of 3-(2-fluorophenyl)naphthalene-2-carboxylic acid?
3-(2-fluorophenyl)naphthalene-2-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 171127463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).