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

C3H7F9OS — CID 173430246

IUPACtrifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride
SMILESCC(OS(F)(F)F)C(F)(F)F.F.F.F
InChIInChI=1S/C3H4F6OS.3FH/c1-2(3(4,5)6)10-11(7,8)9;;;/h2H,1H3;3*1H
InChIKeyIDZIAAGXSPKXCP-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.78
Rot. Bonds2

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

trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride (PubChem CID 173430246) has the molecular formula C3H7F9OS and a molecular weight of 262.14 g/mol. Its IUPAC name is trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride.

Molecular Properties

Compound Nametrifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride
PubChem CID173430246
Molecular FormulaC3H7F9OS
Molecular Weight262.14 g/mol
Exact Mass262.01
IUPAC Nametrifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride
SMILESCC(OS(F)(F)F)C(F)(F)F.F.F.F
InChIInChI=1S/C3H4F6OS.3FH/c1-2(3(4,5)6)10-11(7,8)9;;;/h2H,1H3;3*1H
InChIKeyIDZIAAGXSPKXCP-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.78
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
Trifluoro(1,1,1-trifluoropropan-2-yloxy)-lambda4-sulfane
CID 20502403
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
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;trihydrofluoride?
The IUPAC name of trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride (CID 173430246) is trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride.
What is the SMILES notation for trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride?
The canonical SMILES for trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride is CC(OS(F)(F)F)C(F)(F)F.F.F.F.
What is the InChIKey of trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride?
The InChIKey is IDZIAAGXSPKXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F6OS.3FH/c1-2(3(4,5)6)10-11(7,8)9;;;/h2H,1H3;3*1H.
What are the key properties of trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride?
trifluoro(1,1,1-trifluoropropan-2-yloxy)-λ4-sulfane;trihydrofluoride has a molecular weight of 262.14 g/mol, XLogP of 3.78, 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;trihydrofluoride is sourced from PubChem (CID 173430246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).