8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid

C18H12FNO2 — CID 58407554

IUPAC8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid
SMILESN#Cc1ccc(F)c(C2=CCCc3ccc(C(=O)O)cc32)c1
InChIInChI=1S/C18H12FNO2/c19-17-7-4-11(10-20)8-16(17)14-3-1-2-12-5-6-13(18(21)22)9-15(12)14/h3-9H,1-2H2,(H,21,22)
InChIKeyIYIQTSBMLPYLGN-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.77
Rot. Bonds2

About 8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid

8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid (PubChem CID 58407554) has the molecular formula C18H12FNO2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid
PubChem CID58407554
Molecular FormulaC18H12FNO2
Molecular Weight293.30 g/mol
Exact Mass293.09
IUPAC Name8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid
SMILESN#Cc1ccc(F)c(C2=CCCc3ccc(C(=O)O)cc32)c1
InChIInChI=1S/C18H12FNO2/c19-17-7-4-11(10-20)8-16(17)14-3-1-2-12-5-6-13(18(21)22)9-15(12)14/h3-9H,1-2H2,(H,21,22)
InChIKeyIYIQTSBMLPYLGN-UHFFFAOYSA-N
XLogP3.77
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-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

Frequently Asked Questions

What is the IUPAC name of 8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid (CID 58407554) is 8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid is N#Cc1ccc(F)c(C2=CCCc3ccc(C(=O)O)cc32)c1.
What is the InChIKey of 8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
The InChIKey is IYIQTSBMLPYLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO2/c19-17-7-4-11(10-20)8-16(17)14-3-1-2-12-5-6-13(18(21)22)9-15(12)14/h3-9H,1-2H2,(H,21,22).
What are the key properties of 8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid?
8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-cyano-2-fluorophenyl)-5,6-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 58407554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).