6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene

C17H12ClF3O3S — CID 174364383

IUPAC6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene
SMILESCS(=O)(=O)c1ccccc1-c1cc(Cl)cc2c1OC(C(F)(F)F)C=C2
InChIInChI=1S/C17H12ClF3O3S/c1-25(22,23)14-5-3-2-4-12(14)13-9-11(18)8-10-6-7-15(17(19,20)21)24-16(10)13/h2-9,15H,1H3
InChIKeyMLKZJHWYQDBPNS-UHFFFAOYSA-N
MW388.79 g/mol
LogP4.75
Rot. Bonds2

About 6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene

6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene (PubChem CID 174364383) has the molecular formula C17H12ClF3O3S and a molecular weight of 388.79 g/mol. Its IUPAC name is 6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene
PubChem CID174364383
Molecular FormulaC17H12ClF3O3S
Molecular Weight388.79 g/mol
Exact Mass388.01
IUPAC Name6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene
SMILESCS(=O)(=O)c1ccccc1-c1cc(Cl)cc2c1OC(C(F)(F)F)C=C2
InChIInChI=1S/C17H12ClF3O3S/c1-25(22,23)14-5-3-2-4-12(14)13-9-11(18)8-10-6-7-15(17(19,20)21)24-16(10)13/h2-9,15H,1H3
InChIKeyMLKZJHWYQDBPNS-UHFFFAOYSA-N
XLogP4.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.79
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of 6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene (CID 174364383) is 6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for 6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for 6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene is CS(=O)(=O)c1ccccc1-c1cc(Cl)cc2c1OC(C(F)(F)F)C=C2.
What is the InChIKey of 6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene?
The InChIKey is MLKZJHWYQDBPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3O3S/c1-25(22,23)14-5-3-2-4-12(14)13-9-11(18)8-10-6-7-15(17(19,20)21)24-16(10)13/h2-9,15H,1H3.
What are the key properties of 6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene?
6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene has a molecular weight of 388.79 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(2-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 174364383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).