3,3-difluoro-2-(trifluoromethyl)thiane

C6H7F5S — CID 175120069

IUPAC3,3-difluoro-2-(trifluoromethyl)thiane
SMILESFC(F)(F)C1SCCCC1(F)F
InChIInChI=1S/C6H7F5S/c7-5(8)2-1-3-12-4(5)6(9,10)11/h4H,1-3H2
InChIKeyRLXYUBKBYKANEH-UHFFFAOYSA-N
MW206.18 g/mol
LogP3.08
Rot. Bonds

About 3,3-difluoro-2-(trifluoromethyl)thiane

3,3-difluoro-2-(trifluoromethyl)thiane (PubChem CID 175120069) has the molecular formula C6H7F5S and a molecular weight of 206.18 g/mol. Its IUPAC name is 3,3-difluoro-2-(trifluoromethyl)thiane.

Molecular Properties

Compound Name3,3-difluoro-2-(trifluoromethyl)thiane
PubChem CID175120069
Molecular FormulaC6H7F5S
Molecular Weight206.18 g/mol
Exact Mass206.02
IUPAC Name3,3-difluoro-2-(trifluoromethyl)thiane
SMILESFC(F)(F)C1SCCCC1(F)F
InChIInChI=1S/C6H7F5S/c7-5(8)2-1-3-12-4(5)6(9,10)11/h4H,1-3H2
InChIKeyRLXYUBKBYKANEH-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pentafluoroethyl-[1,3]dithiane
CID 10014420
2-Heptafluoropropyl-[1,3]dithiane
CID 10356744
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)thian-1-ium
CID 20802171
1-(2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl)thian-1-ium
CID 20802216
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluorooctyl)thian-1-ium
CID 20802217
1-(Trifluoromethyl)thian-1-ium
CID 20802244
1-Ethylsulfanyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 23143917
1-Fluoro-3-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796091
1-Fluoro-2-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796124
1-Fluoro-4-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796163
1-Ethylsulfanyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
CID 87154324
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 87154345

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(trifluoromethyl)thiane?
The IUPAC name of 3,3-difluoro-2-(trifluoromethyl)thiane (CID 175120069) is 3,3-difluoro-2-(trifluoromethyl)thiane.
What is the SMILES notation for 3,3-difluoro-2-(trifluoromethyl)thiane?
The canonical SMILES for 3,3-difluoro-2-(trifluoromethyl)thiane is FC(F)(F)C1SCCCC1(F)F.
What is the InChIKey of 3,3-difluoro-2-(trifluoromethyl)thiane?
The InChIKey is RLXYUBKBYKANEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5S/c7-5(8)2-1-3-12-4(5)6(9,10)11/h4H,1-3H2.
What are the key properties of 3,3-difluoro-2-(trifluoromethyl)thiane?
3,3-difluoro-2-(trifluoromethyl)thiane has a molecular weight of 206.18 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(trifluoromethyl)thiane is sourced from PubChem (CID 175120069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).