(2,2-dichlorocyclopropyl)methyl dihydrogen phosphate

C4H7Cl2O4P — CID 20565398

IUPAC(2,2-dichlorocyclopropyl)methyl dihydrogen phosphate
SMILESO=P(O)(O)OCC1CC1(Cl)Cl
InChIInChI=1S/C4H7Cl2O4P/c5-4(6)1-3(4)2-10-11(7,8)9/h3H,1-2H2,(H2,7,8,9)
InChIKeyDFLJNGBUWHNMIR-UHFFFAOYSA-N
MW220.98 g/mol
LogP1.29
Rot. Bonds3

About (2,2-dichlorocyclopropyl)methyl dihydrogen phosphate

(2,2-dichlorocyclopropyl)methyl dihydrogen phosphate (PubChem CID 20565398) has the molecular formula C4H7Cl2O4P and a molecular weight of 220.98 g/mol. Its IUPAC name is (2,2-dichlorocyclopropyl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(2,2-dichlorocyclopropyl)methyl dihydrogen phosphate
PubChem CID20565398
Molecular FormulaC4H7Cl2O4P
Molecular Weight220.98 g/mol
Exact Mass219.95
IUPAC Name(2,2-dichlorocyclopropyl)methyl dihydrogen phosphate
SMILESO=P(O)(O)OCC1CC1(Cl)Cl
InChIInChI=1S/C4H7Cl2O4P/c5-4(6)1-3(4)2-10-11(7,8)9/h3H,1-2H2,(H2,7,8,9)
InChIKeyDFLJNGBUWHNMIR-UHFFFAOYSA-N
XLogP1.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.98
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,2-Dichlorocyclopropyl)methyl dimethyl phosphate
CID 15890130
(2,2-Dichloro-1-methylcyclopropyl)methyl dihydrogen phosphate
CID 20565392
4,4,4-Trichlorobutyl dihydrogen phosphate
CID 22364178
(2,2-Dichlorocyclopropyl)methyl methoxy hydrogen phosphate
CID 172773747

Frequently Asked Questions

What is the IUPAC name of (2,2-dichlorocyclopropyl)methyl dihydrogen phosphate?
The IUPAC name of (2,2-dichlorocyclopropyl)methyl dihydrogen phosphate (CID 20565398) is (2,2-dichlorocyclopropyl)methyl dihydrogen phosphate.
What is the SMILES notation for (2,2-dichlorocyclopropyl)methyl dihydrogen phosphate?
The canonical SMILES for (2,2-dichlorocyclopropyl)methyl dihydrogen phosphate is O=P(O)(O)OCC1CC1(Cl)Cl.
What is the InChIKey of (2,2-dichlorocyclopropyl)methyl dihydrogen phosphate?
The InChIKey is DFLJNGBUWHNMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2O4P/c5-4(6)1-3(4)2-10-11(7,8)9/h3H,1-2H2,(H2,7,8,9).
What are the key properties of (2,2-dichlorocyclopropyl)methyl dihydrogen phosphate?
(2,2-dichlorocyclopropyl)methyl dihydrogen phosphate has a molecular weight of 220.98 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichlorocyclopropyl)methyl dihydrogen phosphate is sourced from PubChem (CID 20565398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).