methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate

C13H9FO3S — CID 2739654

IUPACmethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C13H9FO3S/c1-16-13(15)11-4-7-6-17-10-3-2-8(14)5-9(10)12(7)18-11/h2-5H,6H2,1H3
InChIKeyWKUSYBGGANBUCI-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.23
Rot. Bonds1

About methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate

methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 2739654) has the molecular formula C13H9FO3S and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID2739654
Molecular FormulaC13H9FO3S
Molecular Weight264.28 g/mol
Exact Mass264.03
IUPAC Namemethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C13H9FO3S/c1-16-13(15)11-4-7-6-17-10-3-2-8(14)5-9(10)12(7)18-11/h2-5H,6H2,1H3
InChIKeyWKUSYBGGANBUCI-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate 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

4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 2113888
methyl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 3588737
Ethyl 4-[5-(5-methyl-2-thienyl)-5-oxo-pentoxy]benzoate
CID 3007749
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
8-Chloro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 93983527
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
3-(2-Thienyl)-2H-1-benzopyran-2-one
CID 14101461
4-(Methoxycarbonyl)phenyl thiophene-2-carboxylate
CID 765269
3-[(E)-2-thienylmethylidene]-2,3-dihydro-4H-chromen-4-one
CID 2305454

Frequently Asked Questions

What is the IUPAC name of methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate (CID 2739654) is methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate is COC(=O)c1cc2c(s1)-c1cc(F)ccc1OC2.
What is the InChIKey of methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is WKUSYBGGANBUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO3S/c1-16-13(15)11-4-7-6-17-10-3-2-8(14)5-9(10)12(7)18-11/h2-5H,6H2,1H3.
What are the key properties of methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate?
methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 2739654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).