1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane

C2H3F3O — CID 2724851

IUPAC1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane
SMILES[2H]OC([2H])([2H])C(F)(F)F
InChIInChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i1D2,6D
InChIKeyRHQDFWAXVIIEBN-IDPMSXFZSA-N
MW103.06 g/mol
LogP0.54
Rot. Bonds1

About 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane

1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane (PubChem CID 2724851) has the molecular formula C2H3F3O and a molecular weight of 103.06 g/mol. Its IUPAC name is 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane.

Molecular Properties

Compound Name1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane
PubChem CID2724851
Molecular FormulaC2H3F3O
Molecular Weight103.06 g/mol
Exact Mass103.03
IUPAC Name1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane
SMILES[2H]OC([2H])([2H])C(F)(F)F
InChIInChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i1D2,6D
InChIKeyRHQDFWAXVIIEBN-IDPMSXFZSA-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 ≤ 500103.06
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane?
The IUPAC name of 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane (CID 2724851) is 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane.
What is the SMILES notation for 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane?
The canonical SMILES for 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane is [2H]OC([2H])([2H])C(F)(F)F.
What is the InChIKey of 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane?
The InChIKey is RHQDFWAXVIIEBN-IDPMSXFZSA-N. The full InChI is InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i1D2,6D.
What are the key properties of 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane?
1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane has a molecular weight of 103.06 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 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane is sourced from PubChem (CID 2724851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).