1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane

C3HF7O2S — CID 134934917

IUPAC1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane
SMILESO=S(F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O2S/c4-2(5,6)1(3(7,8)9)12-13(10)11/h1H
InChIKeyQJFRFTOJRPOGHJ-UHFFFAOYSA-N
MW234.09 g/mol
LogP2.04
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane

1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane (PubChem CID 134934917) has the molecular formula C3HF7O2S and a molecular weight of 234.09 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane
PubChem CID134934917
Molecular FormulaC3HF7O2S
Molecular Weight234.09 g/mol
Exact Mass233.96
IUPAC Name1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane
SMILESO=S(F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O2S/c4-2(5,6)1(3(7,8)9)12-13(10)11/h1H
InChIKeyQJFRFTOJRPOGHJ-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane (CID 134934917) is 1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane is O=S(F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane?
The InChIKey is QJFRFTOJRPOGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O2S/c4-2(5,6)1(3(7,8)9)12-13(10)11/h1H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane?
1,1,1,3,3,3-hexafluoro-2-fluorosulfinyloxypropane has a molecular weight of 234.09 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 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-fluorosulfinyloxypropane is sourced from PubChem (CID 134934917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).