1-deuterio-1,1-difluoroethane

C2H4F2 — CID 59903885

IUPAC1-deuterio-1,1-difluoroethane
SMILES[2H]C(C)(F)F
InChIInChI=1S/C2H4F2/c1-2(3)4/h2H,1H3/i2D
InChIKeyNPNPZTNLOVBDOC-VMNATFBRSA-N
MW67.06 g/mol
LogP1.27
Rot. Bonds

About 1-deuterio-1,1-difluoroethane

1-deuterio-1,1-difluoroethane (PubChem CID 59903885) has the molecular formula C2H4F2 and a molecular weight of 67.06 g/mol. Its IUPAC name is 1-deuterio-1,1-difluoroethane.

Molecular Properties

Compound Name1-deuterio-1,1-difluoroethane
PubChem CID59903885
Molecular FormulaC2H4F2
Molecular Weight67.06 g/mol
Exact Mass67.03
IUPAC Name1-deuterio-1,1-difluoroethane
SMILES[2H]C(C)(F)F
InChIInChI=1S/C2H4F2/c1-2(3)4/h2H,1H3/i2D
InChIKeyNPNPZTNLOVBDOC-VMNATFBRSA-N
XLogP1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.06
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-deuterio-1,1-difluoroethane 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 1-deuterio-1,1-difluoroethane?
The IUPAC name of 1-deuterio-1,1-difluoroethane (CID 59903885) is 1-deuterio-1,1-difluoroethane.
What is the SMILES notation for 1-deuterio-1,1-difluoroethane?
The canonical SMILES for 1-deuterio-1,1-difluoroethane is [2H]C(C)(F)F.
What is the InChIKey of 1-deuterio-1,1-difluoroethane?
The InChIKey is NPNPZTNLOVBDOC-VMNATFBRSA-N. The full InChI is InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3/i2D.
What are the key properties of 1-deuterio-1,1-difluoroethane?
1-deuterio-1,1-difluoroethane has a molecular weight of 67.06 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-1,1-difluoroethane is sourced from PubChem (CID 59903885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).