2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate

C7H7F11O4S — CID 158031952

IUPAC2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate
SMILESO=S(=O)(OCC(F)(F)C(F)F)C(F)(F)F.OCC(F)(F)C(F)F
InChIInChI=1S/C4H3F7O3S.C3H4F4O/c5-2(6)3(7,8)1-14-15(12,13)4(9,10)11;4-2(5)3(6,7)1-8/h2H,1H2;2,8H,1H2
InChIKeyFHHBJOAHTMSWCU-UHFFFAOYSA-N
MW396.17 g/mol
LogP2.63
Rot. Bonds6

About 2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate

2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate (PubChem CID 158031952) has the molecular formula C7H7F11O4S and a molecular weight of 396.17 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate
PubChem CID158031952
Molecular FormulaC7H7F11O4S
Molecular Weight396.17 g/mol
Exact Mass395.99
IUPAC Name2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate
SMILESO=S(=O)(OCC(F)(F)C(F)F)C(F)(F)F.OCC(F)(F)C(F)F
InChIInChI=1S/C4H3F7O3S.C3H4F4O/c5-2(6)3(7,8)1-14-15(12,13)4(9,10)11;4-2(5)3(6,7)1-8/h2H,1H2;2,8H,1H2
InChIKeyFHHBJOAHTMSWCU-UHFFFAOYSA-N
XLogP2.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.17
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate?
The IUPAC name of 2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate (CID 158031952) is 2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate?
The canonical SMILES for 2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate is O=S(=O)(OCC(F)(F)C(F)F)C(F)(F)F.OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate?
The InChIKey is FHHBJOAHTMSWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O3S.C3H4F4O/c5-2(6)3(7,8)1-14-15(12,13)4(9,10)11;4-2(5)3(6,7)1-8/h2H,1H2;2,8H,1H2.
What are the key properties of 2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate?
2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate has a molecular weight of 396.17 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropan-1-ol;2,2,3,3-tetrafluoropropyl trifluoromethanesulfonate is sourced from PubChem (CID 158031952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).