6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C16H10ClF3O3S — CID 11406210

IUPAC6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)c(Cc3cccs3)cc2OC1C(F)(F)F
InChIInChI=1S/C16H10ClF3O3S/c17-12-6-9-5-11(15(21)22)14(16(18,19)20)23-13(9)7-8(12)4-10-2-1-3-24-10/h1-3,5-7,14H,4H2,(H,21,22)
InChIKeyALEXEMNJKAWNHO-UHFFFAOYSA-N
MW374.77 g/mol
LogP4.78
Rot. Bonds3

About 6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 11406210) has the molecular formula C16H10ClF3O3S and a molecular weight of 374.77 g/mol. Its IUPAC name is 6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID11406210
Molecular FormulaC16H10ClF3O3S
Molecular Weight374.77 g/mol
Exact Mass374.00
IUPAC Name6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2cc(Cl)c(Cc3cccs3)cc2OC1C(F)(F)F
InChIInChI=1S/C16H10ClF3O3S/c17-12-6-9-5-11(15(21)22)14(16(18,19)20)23-13(9)7-8(12)4-10-2-1-3-24-10/h1-3,5-7,14H,4H2,(H,21,22)
InChIKeyALEXEMNJKAWNHO-UHFFFAOYSA-N
XLogP4.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.77
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 11406210) is 6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2cc(Cl)c(Cc3cccs3)cc2OC1C(F)(F)F.
What is the InChIKey of 6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is ALEXEMNJKAWNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3O3S/c17-12-6-9-5-11(15(21)22)14(16(18,19)20)23-13(9)7-8(12)4-10-2-1-3-24-10/h1-3,5-7,14H,4H2,(H,21,22).
What are the key properties of 6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 374.77 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11406210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).