3,3-dichloroprop-2-enyl dihydrogen phosphate

C3H5Cl2O4P — CID 87692157

IUPAC3,3-dichloroprop-2-enyl dihydrogen phosphate
SMILESO=P(O)(O)OCC=C(Cl)Cl
InChIInChI=1S/C3H5Cl2O4P/c4-3(5)1-2-9-10(6,7)8/h1H,2H2,(H2,6,7,8)
InChIKeyHGBDHTHXXOHNEH-UHFFFAOYSA-N
MW206.95 g/mol
LogP1.41
Rot. Bonds3

About 3,3-dichloroprop-2-enyl dihydrogen phosphate

3,3-dichloroprop-2-enyl dihydrogen phosphate (PubChem CID 87692157) has the molecular formula C3H5Cl2O4P and a molecular weight of 206.95 g/mol. Its IUPAC name is 3,3-dichloroprop-2-enyl dihydrogen phosphate.

Molecular Properties

Compound Name3,3-dichloroprop-2-enyl dihydrogen phosphate
PubChem CID87692157
Molecular FormulaC3H5Cl2O4P
Molecular Weight206.95 g/mol
Exact Mass205.93
IUPAC Name3,3-dichloroprop-2-enyl dihydrogen phosphate
SMILESO=P(O)(O)OCC=C(Cl)Cl
InChIInChI=1S/C3H5Cl2O4P/c4-3(5)1-2-9-10(6,7)8/h1H,2H2,(H2,6,7,8)
InChIKeyHGBDHTHXXOHNEH-UHFFFAOYSA-N
XLogP1.41
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.95
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dichloroprop-2-enyl dihydrogen phosphate?
The IUPAC name of 3,3-dichloroprop-2-enyl dihydrogen phosphate (CID 87692157) is 3,3-dichloroprop-2-enyl dihydrogen phosphate.
What is the SMILES notation for 3,3-dichloroprop-2-enyl dihydrogen phosphate?
The canonical SMILES for 3,3-dichloroprop-2-enyl dihydrogen phosphate is O=P(O)(O)OCC=C(Cl)Cl.
What is the InChIKey of 3,3-dichloroprop-2-enyl dihydrogen phosphate?
The InChIKey is HGBDHTHXXOHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2O4P/c4-3(5)1-2-9-10(6,7)8/h1H,2H2,(H2,6,7,8).
What are the key properties of 3,3-dichloroprop-2-enyl dihydrogen phosphate?
3,3-dichloroprop-2-enyl dihydrogen phosphate has a molecular weight of 206.95 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloroprop-2-enyl dihydrogen phosphate is sourced from PubChem (CID 87692157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).