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

C12H6ClFO3S — CID 71059356

IUPAC8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)-c1cc(Cl)cc(F)c1OC2
InChIInChI=1S/C12H6ClFO3S/c13-6-2-7-10(8(14)3-6)17-4-5-1-9(12(15)16)18-11(5)7/h1-3H,4H2,(H,15,16)
InChIKeyUNYHIZTXAVQMOM-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.80
Rot. Bonds1

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

8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid (PubChem CID 71059356) has the molecular formula C12H6ClFO3S and a molecular weight of 284.69 g/mol. Its IUPAC name is 8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
PubChem CID71059356
Molecular FormulaC12H6ClFO3S
Molecular Weight284.69 g/mol
Exact Mass283.97
IUPAC Name8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)-c1cc(Cl)cc(F)c1OC2
InChIInChI=1S/C12H6ClFO3S/c13-6-2-7-10(8(14)3-6)17-4-5-1-9(12(15)16)18-11(5)7/h1-3H,4H2,(H,15,16)
InChIKeyUNYHIZTXAVQMOM-UHFFFAOYSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 2113888
8-Fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 21279104
6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 86299361
8-Chloro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 93983527
6,8-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 125495233
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
Sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]thiophene-3-carboxylate
CID 44455131
Sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]thiophene-2-carboxylate
CID 44455167
6-chloro-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 127027658
6-cyano-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 127029273

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The IUPAC name of 8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid (CID 71059356) is 8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid.
What is the SMILES notation for 8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The canonical SMILES for 8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid is O=C(O)c1cc2c(s1)-c1cc(Cl)cc(F)c1OC2.
What is the InChIKey of 8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The InChIKey is UNYHIZTXAVQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFO3S/c13-6-2-7-10(8(14)3-6)17-4-5-1-9(12(15)16)18-11(5)7/h1-3H,4H2,(H,15,16).
What are the key properties of 8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid has a molecular weight of 284.69 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid is sourced from PubChem (CID 71059356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).