6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

C15H10ClF3O3S — CID 22638922

IUPAC6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1C(c2cccs2)c2cc(Cl)ccc2OC1C(F)(F)F
InChIInChI=1S/C15H10ClF3O3S/c16-7-3-4-9-8(6-7)11(10-2-1-5-23-10)12(14(20)21)13(22-9)15(17,18)19/h1-6,11-13H,(H,20,21)
InChIKeyPZEXTBYPLHLUBR-UHFFFAOYSA-N
MW362.76 g/mol
LogP4.56
Rot. Bonds2

About 6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 22638922) has the molecular formula C15H10ClF3O3S and a molecular weight of 362.76 g/mol. Its IUPAC name is 6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID22638922
Molecular FormulaC15H10ClF3O3S
Molecular Weight362.76 g/mol
Exact Mass362.00
IUPAC Name6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1C(c2cccs2)c2cc(Cl)ccc2OC1C(F)(F)F
InChIInChI=1S/C15H10ClF3O3S/c16-7-3-4-9-8(6-7)11(10-2-1-5-23-10)12(14(20)21)13(22-9)15(17,18)19/h1-6,11-13H,(H,20,21)
InChIKeyPZEXTBYPLHLUBR-UHFFFAOYSA-N
XLogP4.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.76
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 22638922) is 6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is O=C(O)C1C(c2cccs2)c2cc(Cl)ccc2OC1C(F)(F)F.
What is the InChIKey of 6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is PZEXTBYPLHLUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O3S/c16-7-3-4-9-8(6-7)11(10-2-1-5-23-10)12(14(20)21)13(22-9)15(17,18)19/h1-6,11-13H,(H,20,21).
What are the key properties of 6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 362.76 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-thiophen-2-yl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 22638922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).