5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene

C16H11F5O3S — CID 58950535

IUPAC5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)C1CCOc2c(F)ccc(F)c21
InChIInChI=1S/C16H11F5O3S/c17-11-5-6-12(18)15-14(11)13(7-8-24-15)25(22,23)10-3-1-9(2-4-10)16(19,20)21/h1-6,13H,7-8H2
InChIKeyGCYSIWBYGTXTHK-UHFFFAOYSA-N
MW378.32 g/mol
LogP4.28
Rot. Bonds2

About 5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene

5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene (PubChem CID 58950535) has the molecular formula C16H11F5O3S and a molecular weight of 378.32 g/mol. Its IUPAC name is 5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene
PubChem CID58950535
Molecular FormulaC16H11F5O3S
Molecular Weight378.32 g/mol
Exact Mass378.03
IUPAC Name5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)C1CCOc2c(F)ccc(F)c21
InChIInChI=1S/C16H11F5O3S/c17-11-5-6-12(18)15-14(11)13(7-8-24-15)25(22,23)10-3-1-9(2-4-10)16(19,20)21/h1-6,13H,7-8H2
InChIKeyGCYSIWBYGTXTHK-UHFFFAOYSA-N
XLogP4.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene?
The IUPAC name of 5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene (CID 58950535) is 5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene is O=S(=O)(c1ccc(C(F)(F)F)cc1)C1CCOc2c(F)ccc(F)c21.
What is the InChIKey of 5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene?
The InChIKey is GCYSIWBYGTXTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5O3S/c17-11-5-6-12(18)15-14(11)13(7-8-24-15)25(22,23)10-3-1-9(2-4-10)16(19,20)21/h1-6,13H,7-8H2.
What are the key properties of 5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene?
5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene has a molecular weight of 378.32 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-4-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 58950535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).