2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene

C6H7F3O — CID 102437968

IUPAC2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene
SMILES[2H]C([2H])=CCOC(=C)C(F)(F)F
InChIInChI=1S/C6H7F3O/c1-3-4-10-5(2)6(7,8)9/h3H,1-2,4H2/i1D2
InChIKeyXPRNZUKKKWIHBQ-DICFDUPASA-N
MW154.13 g/mol
LogP2.27
Rot. Bonds3

About 2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene

2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene (PubChem CID 102437968) has the molecular formula C6H7F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene
PubChem CID102437968
Molecular FormulaC6H7F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene
SMILES[2H]C([2H])=CCOC(=C)C(F)(F)F
InChIInChI=1S/C6H7F3O/c1-3-4-10-5(2)6(7,8)9/h3H,1-2,4H2/i1D2
InChIKeyXPRNZUKKKWIHBQ-DICFDUPASA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene (CID 102437968) is 2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene is [2H]C([2H])=CCOC(=C)C(F)(F)F.
What is the InChIKey of 2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene?
The InChIKey is XPRNZUKKKWIHBQ-DICFDUPASA-N. The full InChI is InChI=1S/C6H7F3O/c1-3-4-10-5(2)6(7,8)9/h3H,1-2,4H2/i1D2.
What are the key properties of 2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene?
2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene has a molecular weight of 154.13 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 102437968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).