dichloro prop-2-ynyl phosphate

C3H3Cl2O4P — CID 166457034

IUPACdichloro prop-2-ynyl phosphate
SMILESC#CCOP(=O)(OCl)OCl
InChIInChI=1S/C3H3Cl2O4P/c1-2-3-7-10(6,8-4)9-5/h1H,3H2
InChIKeyGMQGFIOJQHFIEP-UHFFFAOYSA-N
MW204.93 g/mol
LogP2.09
Rot. Bonds4

About dichloro prop-2-ynyl phosphate

dichloro prop-2-ynyl phosphate (PubChem CID 166457034) has the molecular formula C3H3Cl2O4P and a molecular weight of 204.93 g/mol. Its IUPAC name is dichloro prop-2-ynyl phosphate.

Molecular Properties

Compound Namedichloro prop-2-ynyl phosphate
PubChem CID166457034
Molecular FormulaC3H3Cl2O4P
Molecular Weight204.93 g/mol
Exact Mass203.91
IUPAC Namedichloro prop-2-ynyl phosphate
SMILESC#CCOP(=O)(OCl)OCl
InChIInChI=1S/C3H3Cl2O4P/c1-2-3-7-10(6,8-4)9-5/h1H,3H2
InChIKeyGMQGFIOJQHFIEP-UHFFFAOYSA-N
XLogP2.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.93
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl bis(prop-2-ynyl) phosphate
CID 23470663
propan-2-yl bis(prop-2-ynyl) phosphate
CID 23470653
tert-butyl bis(prop-2-ynyl) phosphate
CID 134297129
dichloro 4-dichlorooxyphosphoryloxybutyl phosphate
CID 123805772
bis(prop-2-ynyl) 1,1,1-trifluoropropan-2-yl phosphate
CID 163686133
tris(3-azidopropyl) phosphate;tris(prop-2-ynyl) phosphate
CID 162218576
N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine
CID 71444753
ethyl prop-2-ynyl hydrogen phosphate;hydrochloride
CID 88748912
methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane
CID 13201882
chloro(prop-2-ynylperoxy)phosphinic acid
CID 175417119
1-bis(prop-2-ynoxy)phosphoryl-N-difluorophosphorylformamide
CID 170085386
3-[ethyl(prop-2-ynoxy)phosphoryl]oxycyclobutene
CID 151984431

Frequently Asked Questions

What is the IUPAC name of dichloro prop-2-ynyl phosphate?
The IUPAC name of dichloro prop-2-ynyl phosphate (CID 166457034) is dichloro prop-2-ynyl phosphate.
What is the SMILES notation for dichloro prop-2-ynyl phosphate?
The canonical SMILES for dichloro prop-2-ynyl phosphate is C#CCOP(=O)(OCl)OCl.
What is the InChIKey of dichloro prop-2-ynyl phosphate?
The InChIKey is GMQGFIOJQHFIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2O4P/c1-2-3-7-10(6,8-4)9-5/h1H,3H2.
What are the key properties of dichloro prop-2-ynyl phosphate?
dichloro prop-2-ynyl phosphate has a molecular weight of 204.93 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro prop-2-ynyl phosphate is sourced from PubChem (CID 166457034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).