1,1,2,2-tetrafluorobutane-1,4-diol

C4H6F4O2 — CID 22218867

IUPAC1,1,2,2-tetrafluorobutane-1,4-diol
SMILESOCCC(F)(F)C(O)(F)F
InChIInChI=1S/C4H6F4O2/c5-3(6,1-2-9)4(7,8)10/h9-10H,1-2H2
InChIKeyXSWTXUFRDMJSLS-UHFFFAOYSA-N
MW162.08 g/mol
LogP0.59
Rot. Bonds3

About 1,1,2,2-tetrafluorobutane-1,4-diol

1,1,2,2-tetrafluorobutane-1,4-diol (PubChem CID 22218867) has the molecular formula C4H6F4O2 and a molecular weight of 162.08 g/mol. Its IUPAC name is 1,1,2,2-tetrafluorobutane-1,4-diol.

Molecular Properties

Compound Name1,1,2,2-tetrafluorobutane-1,4-diol
PubChem CID22218867
Molecular FormulaC4H6F4O2
Molecular Weight162.08 g/mol
Exact Mass162.03
IUPAC Name1,1,2,2-tetrafluorobutane-1,4-diol
SMILESOCCC(F)(F)C(O)(F)F
InChIInChI=1S/C4H6F4O2/c5-3(6,1-2-9)4(7,8)10/h9-10H,1-2H2
InChIKeyXSWTXUFRDMJSLS-UHFFFAOYSA-N
XLogP0.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluorobutane-1,4-diol?
The IUPAC name of 1,1,2,2-tetrafluorobutane-1,4-diol (CID 22218867) is 1,1,2,2-tetrafluorobutane-1,4-diol.
What is the SMILES notation for 1,1,2,2-tetrafluorobutane-1,4-diol?
The canonical SMILES for 1,1,2,2-tetrafluorobutane-1,4-diol is OCCC(F)(F)C(O)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluorobutane-1,4-diol?
The InChIKey is XSWTXUFRDMJSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O2/c5-3(6,1-2-9)4(7,8)10/h9-10H,1-2H2.
What are the key properties of 1,1,2,2-tetrafluorobutane-1,4-diol?
1,1,2,2-tetrafluorobutane-1,4-diol has a molecular weight of 162.08 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluorobutane-1,4-diol is sourced from PubChem (CID 22218867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).