1,1,1-trifluoro-2-fluorosulfinyloxypropane

C3H4F4O2S — CID 12583892

IUPAC1,1,1-trifluoro-2-fluorosulfinyloxypropane
SMILESCC(OS(=O)F)C(F)(F)F
InChIInChI=1S/C3H4F4O2S/c1-2(3(4,5)6)9-10(7)8/h2H,1H3
InChIKeyZCKOFERTPGXJAF-UHFFFAOYSA-N
MW180.12 g/mol
LogP1.50
Rot. Bonds2

About 1,1,1-trifluoro-2-fluorosulfinyloxypropane

1,1,1-trifluoro-2-fluorosulfinyloxypropane (PubChem CID 12583892) has the molecular formula C3H4F4O2S and a molecular weight of 180.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-fluorosulfinyloxypropane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-fluorosulfinyloxypropane
PubChem CID12583892
Molecular FormulaC3H4F4O2S
Molecular Weight180.12 g/mol
Exact Mass179.99
IUPAC Name1,1,1-trifluoro-2-fluorosulfinyloxypropane
SMILESCC(OS(=O)F)C(F)(F)F
InChIInChI=1S/C3H4F4O2S/c1-2(3(4,5)6)9-10(7)8/h2H,1H3
InChIKeyZCKOFERTPGXJAF-UHFFFAOYSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-fluorosulfinyloxypropane?
The IUPAC name of 1,1,1-trifluoro-2-fluorosulfinyloxypropane (CID 12583892) is 1,1,1-trifluoro-2-fluorosulfinyloxypropane.
What is the SMILES notation for 1,1,1-trifluoro-2-fluorosulfinyloxypropane?
The canonical SMILES for 1,1,1-trifluoro-2-fluorosulfinyloxypropane is CC(OS(=O)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-fluorosulfinyloxypropane?
The InChIKey is ZCKOFERTPGXJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O2S/c1-2(3(4,5)6)9-10(7)8/h2H,1H3.
What are the key properties of 1,1,1-trifluoro-2-fluorosulfinyloxypropane?
1,1,1-trifluoro-2-fluorosulfinyloxypropane has a molecular weight of 180.12 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-fluorosulfinyloxypropane is sourced from PubChem (CID 12583892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).