trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane

C3H4F6OS — CID 20502403

IUPACtrifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane
SMILESCC(OS(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H4F6OS/c1-2(3(4,5)6)10-11(7,8)9/h2H,1H3
InChIKeyOGSQQIXHVRDJEO-UHFFFAOYSA-N
MW202.12 g/mol
LogP3.33
Rot. Bonds2

About trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane

trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane (PubChem CID 20502403) has the molecular formula C3H4F6OS and a molecular weight of 202.12 g/mol. Its IUPAC name is trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane
PubChem CID20502403
Molecular FormulaC3H4F6OS
Molecular Weight202.12 g/mol
Exact Mass201.99
IUPAC Nametrifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane
SMILESCC(OS(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H4F6OS/c1-2(3(4,5)6)10-11(7,8)9/h2H,1H3
InChIKeyOGSQQIXHVRDJEO-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-Trifluoro-2-fluorosulfonyloxypropane
CID 13555553
1,1,1-Trifluoro-2-fluorosulfinyloxypropane
CID 12583892
2,2,2-Trifluoro-1-(trifluoromethyl)ethoxysulfur trifluoride
CID 12797938
1,1,1-Trifluoropropan-2-yl hypofluorite
CID 18924249
1,1,1,3,3,3-Hexafluoro-2-sulfanyloxypropane
CID 88740671
(2R)-1,1,1-trifluoro-2-sulfanyloxypropane
CID 134470620
1,1,1-Trifluorobutan-2-yl hypofluorite
CID 150438318
Trifluoro(1,1,1-trifluoropropan-2-yloxy)-lambda4-sulfane;trihydrofluoride
CID 173430246
1,1,1-Trifluoro-2-sulfanyloxypropane
CID 148406384
1,1,1-Trifluoropropan-2-olate
CID 153696778

Frequently Asked Questions

What is the IUPAC name of trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane?
The IUPAC name of trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane (CID 20502403) is trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane.
What is the SMILES notation for trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane?
The canonical SMILES for trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane is CC(OS(F)(F)F)C(F)(F)F.
What is the InChIKey of trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane?
The InChIKey is OGSQQIXHVRDJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F6OS/c1-2(3(4,5)6)10-11(7,8)9/h2H,1H3.
What are the key properties of trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane?
trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane has a molecular weight of 202.12 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane is sourced from PubChem (CID 20502403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).