Ethane-1,1-d2, 1-chloro-

C2H5Cl — CID 16217388

IUPAC1-chloro-1,1-dideuterioethane
SMILES[2H]C([2H])(C)Cl
InChIInChI=1S/C2H5Cl/c1-2-3/h2H2,1H3/i2D2
InChIKeyHRYZWHHZPQKTII-CBTSVUPCSA-N
MW66.52 g/mol
LogP1.20
Rot. Bonds

About Ethane-1,1-d2, 1-chloro-

Ethane-1,1-d2, 1-chloro- (PubChem CID 16217388) has the molecular formula C2H5Cl and a molecular weight of 66.52 g/mol. Its IUPAC name is 1-chloro-1,1-dideuterioethane.

Molecular Properties

Compound NameEthane-1,1-d2, 1-chloro-
PubChem CID16217388
Molecular FormulaC2H5Cl
Molecular Weight66.52 g/mol
Exact Mass66.02
IUPAC Name1-chloro-1,1-dideuterioethane
SMILES[2H]C([2H])(C)Cl
InChIInChI=1S/C2H5Cl/c1-2-3/h2H2,1H3/i2D2
InChIKeyHRYZWHHZPQKTII-CBTSVUPCSA-N
XLogP1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity2

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.52
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Ethane-1,1-d2, 1-chloro-?
The IUPAC name of Ethane-1,1-d2, 1-chloro- (CID 16217388) is 1-chloro-1,1-dideuterioethane.
What is the SMILES notation for Ethane-1,1-d2, 1-chloro-?
The canonical SMILES for Ethane-1,1-d2, 1-chloro- is [2H]C([2H])(C)Cl.
What is the InChIKey of Ethane-1,1-d2, 1-chloro-?
The InChIKey is HRYZWHHZPQKTII-CBTSVUPCSA-N. The full InChI is InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3/i2D2.
What are the key properties of Ethane-1,1-d2, 1-chloro-?
Ethane-1,1-d2, 1-chloro- has a molecular weight of 66.52 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane-1,1-d2, 1-chloro- is sourced from PubChem (CID 16217388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).