2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide

C7H12F4O3S — CID 174896597

IUPAC2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1.OCC(F)C(F)(F)F
InChIInChI=1S/C4H8O2S.C3H4F4O/c5-7(6)3-1-2-4-7;4-2(1-8)3(5,6)7/h1-4H2;2,8H,1H2
InChIKeyZWFAIWDZFDKDSJ-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.07
Rot. Bonds1

About 2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide

2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide (PubChem CID 174896597) has the molecular formula C7H12F4O3S and a molecular weight of 252.23 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide
PubChem CID174896597
Molecular FormulaC7H12F4O3S
Molecular Weight252.23 g/mol
Exact Mass252.04
IUPAC Name2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1.OCC(F)C(F)(F)F
InChIInChI=1S/C4H8O2S.C3H4F4O/c5-7(6)3-1-2-4-7;4-2(1-8)3(5,6)7/h1-4H2;2,8H,1H2
InChIKeyZWFAIWDZFDKDSJ-UHFFFAOYSA-N
XLogP1.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide?
The IUPAC name of 2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide (CID 174896597) is 2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide.
What is the SMILES notation for 2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide?
The canonical SMILES for 2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide is O=S1(=O)CCCC1.OCC(F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide?
The InChIKey is ZWFAIWDZFDKDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.C3H4F4O/c5-7(6)3-1-2-4-7;4-2(1-8)3(5,6)7/h1-4H2;2,8H,1H2.
What are the key properties of 2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide?
2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide has a molecular weight of 252.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoropropan-1-ol;thiolane 1,1-dioxide is sourced from PubChem (CID 174896597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).