2,2-dideuterio-1,1,2-trifluoroethanol

C2H3F3O — CID 54375651

IUPAC2,2-dideuterio-1,1,2-trifluoroethanol
SMILES[2H]C([2H])(F)C(O)(F)F
InChIInChI=1S/C2H3F3O/c3-1-2(4,5)6/h6H,1H2/i1D2
InChIKeyUWHSOAQTULYJLH-DICFDUPASA-N
MW102.05 g/mol
LogP0.54
Rot. Bonds1

About 2,2-dideuterio-1,1,2-trifluoroethanol

2,2-dideuterio-1,1,2-trifluoroethanol (PubChem CID 54375651) has the molecular formula C2H3F3O and a molecular weight of 102.05 g/mol. Its IUPAC name is 2,2-dideuterio-1,1,2-trifluoroethanol.

Molecular Properties

Compound Name2,2-dideuterio-1,1,2-trifluoroethanol
PubChem CID54375651
Molecular FormulaC2H3F3O
Molecular Weight102.05 g/mol
Exact Mass102.03
IUPAC Name2,2-dideuterio-1,1,2-trifluoroethanol
SMILES[2H]C([2H])(F)C(O)(F)F
InChIInChI=1S/C2H3F3O/c3-1-2(4,5)6/h6H,1H2/i1D2
InChIKeyUWHSOAQTULYJLH-DICFDUPASA-N
XLogP0.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.05
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-1,1,2-trifluoroethanol?
The IUPAC name of 2,2-dideuterio-1,1,2-trifluoroethanol (CID 54375651) is 2,2-dideuterio-1,1,2-trifluoroethanol.
What is the SMILES notation for 2,2-dideuterio-1,1,2-trifluoroethanol?
The canonical SMILES for 2,2-dideuterio-1,1,2-trifluoroethanol is [2H]C([2H])(F)C(O)(F)F.
What is the InChIKey of 2,2-dideuterio-1,1,2-trifluoroethanol?
The InChIKey is UWHSOAQTULYJLH-DICFDUPASA-N. The full InChI is InChI=1S/C2H3F3O/c3-1-2(4,5)6/h6H,1H2/i1D2.
What are the key properties of 2,2-dideuterio-1,1,2-trifluoroethanol?
2,2-dideuterio-1,1,2-trifluoroethanol has a molecular weight of 102.05 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-1,1,2-trifluoroethanol is sourced from PubChem (CID 54375651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).