(1R,2R)-2-chloro-1,2-dideuterioethanol

C2H5ClO — CID 138962773

IUPAC(1R,2R)-2-chloro-1,2-dideuterioethanol
SMILES[2H][C@@H](O)[C@@H]([2H])Cl
InChIInChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2/i1D,2D/t1-,2-/m1/s1
InChIKeySZIFAVKTNFCBPC-USYLWXOYSA-N
MW82.53 g/mol
LogP0.22
Rot. Bonds1

About (1R,2R)-2-chloro-1,2-dideuterioethanol

(1R,2R)-2-chloro-1,2-dideuterioethanol (PubChem CID 138962773) has the molecular formula C2H5ClO and a molecular weight of 82.53 g/mol. Its IUPAC name is (1R,2R)-2-chloro-1,2-dideuterioethanol.

Molecular Properties

Compound Name(1R,2R)-2-chloro-1,2-dideuterioethanol
PubChem CID138962773
Molecular FormulaC2H5ClO
Molecular Weight82.53 g/mol
Exact Mass82.02
IUPAC Name(1R,2R)-2-chloro-1,2-dideuterioethanol
SMILES[2H][C@@H](O)[C@@H]([2H])Cl
InChIInChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2/i1D,2D/t1-,2-/m1/s1
InChIKeySZIFAVKTNFCBPC-USYLWXOYSA-N
XLogP0.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.53
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R)-2-chloro-1,2-dideuterioethanol 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 (1R,2R)-2-chloro-1,2-dideuterioethanol?
The IUPAC name of (1R,2R)-2-chloro-1,2-dideuterioethanol (CID 138962773) is (1R,2R)-2-chloro-1,2-dideuterioethanol.
What is the SMILES notation for (1R,2R)-2-chloro-1,2-dideuterioethanol?
The canonical SMILES for (1R,2R)-2-chloro-1,2-dideuterioethanol is [2H][C@@H](O)[C@@H]([2H])Cl.
What is the InChIKey of (1R,2R)-2-chloro-1,2-dideuterioethanol?
The InChIKey is SZIFAVKTNFCBPC-USYLWXOYSA-N. The full InChI is InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2/i1D,2D/t1-,2-/m1/s1.
What are the key properties of (1R,2R)-2-chloro-1,2-dideuterioethanol?
(1R,2R)-2-chloro-1,2-dideuterioethanol has a molecular weight of 82.53 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-chloro-1,2-dideuterioethanol is sourced from PubChem (CID 138962773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).