trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane

C3HF9OS — CID 12797938

IUPACtrifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane
SMILESFC(F)(F)C(OS(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF9OS/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H
InChIKeyNYUPBJMAVTVGRW-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.87
Rot. Bonds2

About trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane

trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane (PubChem CID 12797938) has the molecular formula C3HF9OS and a molecular weight of 256.09 g/mol. Its IUPAC name is trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane
PubChem CID12797938
Molecular FormulaC3HF9OS
Molecular Weight256.09 g/mol
Exact Mass255.96
IUPAC Nametrifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane
SMILESFC(F)(F)C(OS(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF9OS/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H
InChIKeyNYUPBJMAVTVGRW-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,3,3,3-Hexafluoro-2-fluorosulfinyloxypropane
CID 134934917
1,1,1,3,3,3-Hexafluoro-2-propaneolate
CID 4080351
Lithium 1,1,1,3,3,3-hexafluoropropan-2-olate
CID 23673051
Sodium 1,1,1,3,3,3-hexafluoropropan-2-olate
CID 23676101
d2-Hexafluoroisopropanol
CID 140845523
1,1,1,3,3,3-Hexafluoropropan-2-yl hypobromite
CID 172868430
1,1,1,3,3,3-Hexafluoro-2-fluorosulfonyloxypropane
CID 12603899
Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]sulfur difluoride
CID 12797939
1,1,1,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfanyloxy)propane
CID 13418963
1,1,1,3,3,3-Hexafluoropropan-2-yl hypofluorite
CID 20089354
Trifluoro(1,1,1-trifluoropropan-2-yloxy)-lambda4-sulfane
CID 20502403
Cesium 1,1,1,3,3,3-hexafluoropropan-2-olate
CID 22889461

Frequently Asked Questions

What is the IUPAC name of trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane?
The IUPAC name of trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane (CID 12797938) is trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane.
What is the SMILES notation for trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane?
The canonical SMILES for trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane is FC(F)(F)C(OS(F)(F)F)C(F)(F)F.
What is the InChIKey of trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane?
The InChIKey is NYUPBJMAVTVGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF9OS/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H.
What are the key properties of trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane?
trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane has a molecular weight of 256.09 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-λ4-sulfane is sourced from PubChem (CID 12797938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).