6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran

C8H6F6S — CID 163440773

IUPAC6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran
SMILESCC1=C(C(F)(F)F)C=C(C(F)(F)F)CS1
InChIInChI=1S/C8H6F6S/c1-4-6(8(12,13)14)2-5(3-15-4)7(9,10)11/h2H,3H2,1H3
InChIKeyDWYKEDKMRYJPDS-UHFFFAOYSA-N
MW248.19 g/mol
LogP4.06
Rot. Bonds

About 6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran

6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran (PubChem CID 163440773) has the molecular formula C8H6F6S and a molecular weight of 248.19 g/mol. Its IUPAC name is 6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran.

Molecular Properties

Compound Name6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran
PubChem CID163440773
Molecular FormulaC8H6F6S
Molecular Weight248.19 g/mol
Exact Mass248.01
IUPAC Name6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran
SMILESCC1=C(C(F)(F)F)C=C(C(F)(F)F)CS1
InChIInChI=1S/C8H6F6S/c1-4-6(8(12,13)14)2-5(3-15-4)7(9,10)11/h2H,3H2,1H3
InChIKeyDWYKEDKMRYJPDS-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran
CID 12613215
4-(Trifluoromethyl)-3,6-dihydro-2 H-thiopyran
CID 162787526
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
3-Ethyl-4,4,5,5,5-pentafluoro-1-propylsulfanylpent-2-ene
CID 90955522
4,4,5,5,5-Pentafluoro-3-methyl-1-propylsulfanylpent-2-ene
CID 90974987
1-Propylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91339078
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-propylsulfanylhex-2-ene
CID 91575657
3-Ethyl-1-ethylsulfanyl-4,4,5,5,5-pentafluoropent-2-ene
CID 91587955
1-Ethylsulfanyl-4,4,5,5,5-pentafluoro-3-methylpent-2-ene
CID 91804152
5-fluoro-6-(trifluoromethyl)-8aH-thiochromene
CID 123171106
6-(2-Methylbut-1-enylsulfanyl)-5-methylidene-3-(trifluoromethyl)hepta-1,3,6-triene
CID 123359278

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran?
The IUPAC name of 6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran (CID 163440773) is 6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran.
What is the SMILES notation for 6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran?
The canonical SMILES for 6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran is CC1=C(C(F)(F)F)C=C(C(F)(F)F)CS1.
What is the InChIKey of 6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran?
The InChIKey is DWYKEDKMRYJPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6S/c1-4-6(8(12,13)14)2-5(3-15-4)7(9,10)11/h2H,3H2,1H3.
What are the key properties of 6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran?
6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran has a molecular weight of 248.19 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran is sourced from PubChem (CID 163440773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).