3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride

C6H7ClF6O3S — CID 58901215

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7ClF6O3S/c7-17(14,15)3-1-2-16-4(5(8,9)10)6(11,12)13/h4H,1-3H2
InChIKeyFZWNTCWOIHNTDL-UHFFFAOYSA-N
MW308.63 g/mol
LogP2.45
Rot. Bonds5

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride (PubChem CID 58901215) has the molecular formula C6H7ClF6O3S and a molecular weight of 308.63 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride
PubChem CID58901215
Molecular FormulaC6H7ClF6O3S
Molecular Weight308.63 g/mol
Exact Mass307.97
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7ClF6O3S/c7-17(14,15)3-1-2-16-4(5(8,9)10)6(11,12)13/h4H,1-3H2
InChIKeyFZWNTCWOIHNTDL-UHFFFAOYSA-N
XLogP2.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.63
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride (CID 58901215) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride?
The InChIKey is FZWNTCWOIHNTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF6O3S/c7-17(14,15)3-1-2-16-4(5(8,9)10)6(11,12)13/h4H,1-3H2.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride has a molecular weight of 308.63 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propane-1-sulfonyl chloride is sourced from PubChem (CID 58901215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).