6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid

C17H10F2O2 — CID 172868740

IUPAC6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(-c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C17H10F2O2/c18-14-5-6-15(16(19)9-14)12-3-1-11-8-13(17(20)21)4-2-10(11)7-12/h1-9H,(H,20,21)
InChIKeyRHJGMEOVWWTVNG-UHFFFAOYSA-N
MW284.26 g/mol
LogP4.48
Rot. Bonds2

About 6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid

6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid (PubChem CID 172868740) has the molecular formula C17H10F2O2 and a molecular weight of 284.26 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
PubChem CID172868740
Molecular FormulaC17H10F2O2
Molecular Weight284.26 g/mol
Exact Mass284.06
IUPAC Name6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(-c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C17H10F2O2/c18-14-5-6-15(16(19)9-14)12-3-1-11-8-13(17(20)21)4-2-10(11)7-12/h1-9H,(H,20,21)
InChIKeyRHJGMEOVWWTVNG-UHFFFAOYSA-N
XLogP4.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
CID 53225857
2-(2,4-difluorophenyl)naphthalene
CID 57155988
6-[4-(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
CID 175448774
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
4-(4-aminophenyl)-3-fluorobenzoic acid
CID 166791377
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
8-(2,4-difluorophenyl)-7-isocyanonaphthalene-2-carboxylic acid
CID 88553969

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid (CID 172868740) is 6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(-c3ccc(F)cc3F)ccc2c1.
What is the InChIKey of 6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid?
The InChIKey is RHJGMEOVWWTVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2O2/c18-14-5-6-15(16(19)9-14)12-3-1-11-8-13(17(20)21)4-2-10(11)7-12/h1-9H,(H,20,21).
What are the key properties of 6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid?
6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid has a molecular weight of 284.26 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 172868740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).