1,1,2,2-tetrafluoroethanol;hydrate

C2H4F4O2 — CID 87686944

IUPAC1,1,2,2-tetrafluoroethanol;hydrate
SMILESO.OC(F)(F)C(F)F
InChIInChI=1S/C2H2F4O.H2O/c3-1(4)2(5,6)7;/h1,7H;1H2
InChIKeySQAMBSIAVOQYQV-UHFFFAOYSA-N
MW136.04 g/mol
LogP0.01
Rot. Bonds1

About 1,1,2,2-tetrafluoroethanol;hydrate

1,1,2,2-tetrafluoroethanol;hydrate (PubChem CID 87686944) has the molecular formula C2H4F4O2 and a molecular weight of 136.04 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoroethanol;hydrate.

Molecular Properties

Compound Name1,1,2,2-tetrafluoroethanol;hydrate
PubChem CID87686944
Molecular FormulaC2H4F4O2
Molecular Weight136.04 g/mol
Exact Mass136.01
IUPAC Name1,1,2,2-tetrafluoroethanol;hydrate
SMILESO.OC(F)(F)C(F)F
InChIInChI=1S/C2H2F4O.H2O/c3-1(4)2(5,6)7;/h1,7H;1H2
InChIKeySQAMBSIAVOQYQV-UHFFFAOYSA-N
XLogP0.01
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.04
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-tetrafluoroethanol;hydrate?
The IUPAC name of 1,1,2,2-tetrafluoroethanol;hydrate (CID 87686944) is 1,1,2,2-tetrafluoroethanol;hydrate.
What is the SMILES notation for 1,1,2,2-tetrafluoroethanol;hydrate?
The canonical SMILES for 1,1,2,2-tetrafluoroethanol;hydrate is O.OC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoroethanol;hydrate?
The InChIKey is SQAMBSIAVOQYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O.H2O/c3-1(4)2(5,6)7;/h1,7H;1H2.
What are the key properties of 1,1,2,2-tetrafluoroethanol;hydrate?
1,1,2,2-tetrafluoroethanol;hydrate has a molecular weight of 136.04 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoroethanol;hydrate is sourced from PubChem (CID 87686944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).