(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol

C4H8Cl3O4P — CID 6604183

IUPAC(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol
SMILESCOP(=O)(OC)[C@@H](O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3/t3-/m1/s1
InChIKeyNFACJZMKEDPNKN-GSVOUGTGSA-N
MW257.44 g/mol
LogP2.16
Rot. Bonds3

About (1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol

(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol (PubChem CID 6604183) has the molecular formula C4H8Cl3O4P and a molecular weight of 257.44 g/mol. Its IUPAC name is (1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol
PubChem CID6604183
Molecular FormulaC4H8Cl3O4P
Molecular Weight257.44 g/mol
Exact Mass255.92
IUPAC Name(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol
SMILESCOP(=O)(OC)[C@@H](O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3/t3-/m1/s1
InChIKeyNFACJZMKEDPNKN-GSVOUGTGSA-N
XLogP2.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol?
The IUPAC name of (1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol (CID 6604183) is (1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol.
What is the SMILES notation for (1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol?
The canonical SMILES for (1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol is COP(=O)(OC)[C@@H](O)C(Cl)(Cl)Cl.
What is the InChIKey of (1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol?
The InChIKey is NFACJZMKEDPNKN-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3/t3-/m1/s1.
What are the key properties of (1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol?
(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol has a molecular weight of 257.44 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol is sourced from PubChem (CID 6604183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).