6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid

C13H6FNO3S — CID 127029273

IUPAC6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESN#Cc1cc(F)cc2c1OCc1cc(C(=O)O)sc1-2
InChIInChI=1S/C13H6FNO3S/c14-8-1-6(4-15)11-9(3-8)12-7(5-18-11)2-10(19-12)13(16)17/h1-3H,5H2,(H,16,17)
InChIKeyUHUCPTFHFCHEHI-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.02
Rot. Bonds1

About 6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid

6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid (PubChem CID 127029273) has the molecular formula C13H6FNO3S and a molecular weight of 275.26 g/mol. Its IUPAC name is 6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid.

Molecular Properties

Compound Name6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
PubChem CID127029273
Molecular FormulaC13H6FNO3S
Molecular Weight275.26 g/mol
Exact Mass275.01
IUPAC Name6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESN#Cc1cc(F)cc2c1OCc1cc(C(=O)O)sc1-2
InChIInChI=1S/C13H6FNO3S/c14-8-1-6(4-15)11-9(3-8)12-7(5-18-11)2-10(19-12)13(16)17/h1-3H,5H2,(H,16,17)
InChIKeyUHUCPTFHFCHEHI-UHFFFAOYSA-N
XLogP3.02
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 2113888
methyl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 3588737
8-Fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 21279104
8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 71059356
7,8,9-trifluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 125495631
9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 125495946
6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 127027976
7-chloro-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 127029536
8-fluoro-4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid methyl ester
CID 2739654
5-(2,3-Dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid
CID 114746347
(Z)-4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 44404062
4H-Thieno[3,2-c][1]benzopyran-2-butanoic acid, 8-fluoro-alpha,gamma-dioxo-
CID 510833

Frequently Asked Questions

What is the IUPAC name of 6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The IUPAC name of 6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid (CID 127029273) is 6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid.
What is the SMILES notation for 6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The canonical SMILES for 6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid is N#Cc1cc(F)cc2c1OCc1cc(C(=O)O)sc1-2.
What is the InChIKey of 6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The InChIKey is UHUCPTFHFCHEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6FNO3S/c14-8-1-6(4-15)11-9(3-8)12-7(5-18-11)2-10(19-12)13(16)17/h1-3H,5H2,(H,16,17).
What are the key properties of 6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid is sourced from PubChem (CID 127029273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).