1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane

C3H2F6OS — CID 88740671

IUPAC1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane
SMILESFC(F)(F)C(OS)C(F)(F)F
InChIInChI=1S/C3H2F6OS/c4-2(5,6)1(10-11)3(7,8)9/h1,11H
InChIKeyXADROTNRSXSQRB-UHFFFAOYSA-N
MW200.10 g/mol
LogP2.34
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane

1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane (PubChem CID 88740671) has the molecular formula C3H2F6OS and a molecular weight of 200.10 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane
PubChem CID88740671
Molecular FormulaC3H2F6OS
Molecular Weight200.10 g/mol
Exact Mass199.97
IUPAC Name1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane
SMILESFC(F)(F)C(OS)C(F)(F)F
InChIInChI=1S/C3H2F6OS/c4-2(5,6)1(10-11)3(7,8)9/h1,11H
InChIKeyXADROTNRSXSQRB-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.10
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Sevoflurane
CID 5206
1,1,1,3,3,3-Hexafluoro-2-fluorosulfinyloxypropane
CID 134934917
1,1,1,3,3,3-Hexafluoro-2-propaneolate
CID 4080351
2-(Difluoromethoxy)-1,1,1,3,3,3-hexafluoropropane
CID 10932890
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
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite
CID 13382257
1,1,1,3,3,3-Hexafluoropropan-2-yl hypobromite
CID 172868430
1-(18F)fluoro-1,1,3,3,3-pentafluoro-2-(fluoromethoxy)propane
CID 172440854
2-[Dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane
CID 10176580
2-(Trifluoromethoxy)-1,1,1,3,3,3-hexafluoropropane
CID 11009932

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane (CID 88740671) is 1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane is FC(F)(F)C(OS)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane?
The InChIKey is XADROTNRSXSQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6OS/c4-2(5,6)1(10-11)3(7,8)9/h1,11H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane?
1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane has a molecular weight of 200.10 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-sulfanyloxypropane is sourced from PubChem (CID 88740671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).