4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid

C17H10FNO3 — CID 58407009

IUPAC4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid
SMILESN#Cc1ccc(C2=CCOc3c(F)cc(C(=O)O)cc32)cc1
InChIInChI=1S/C17H10FNO3/c18-15-8-12(17(20)21)7-14-13(5-6-22-16(14)15)11-3-1-10(9-19)2-4-11/h1-5,7-8H,6H2,(H,20,21)
InChIKeyZXQQEBDIFHVGCP-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.22
Rot. Bonds2

About 4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid

4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid (PubChem CID 58407009) has the molecular formula C17H10FNO3 and a molecular weight of 295.27 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid
PubChem CID58407009
Molecular FormulaC17H10FNO3
Molecular Weight295.27 g/mol
Exact Mass295.06
IUPAC Name4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid
SMILESN#Cc1ccc(C2=CCOc3c(F)cc(C(=O)O)cc32)cc1
InChIInChI=1S/C17H10FNO3/c18-15-8-12(17(20)21)7-14-13(5-6-22-16(14)15)11-3-1-10(9-19)2-4-11/h1-5,7-8H,6H2,(H,20,21)
InChIKeyZXQQEBDIFHVGCP-UHFFFAOYSA-N
XLogP3.22
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid?
The IUPAC name of 4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid (CID 58407009) is 4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid.
What is the SMILES notation for 4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid?
The canonical SMILES for 4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid is N#Cc1ccc(C2=CCOc3c(F)cc(C(=O)O)cc32)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid?
The InChIKey is ZXQQEBDIFHVGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO3/c18-15-8-12(17(20)21)7-14-13(5-6-22-16(14)15)11-3-1-10(9-19)2-4-11/h1-5,7-8H,6H2,(H,20,21).
What are the key properties of 4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid?
4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-8-fluoro-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 58407009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).