1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane

C10H17F2O4P — CID 166519614

IUPAC1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane
SMILESC=CCOCC(COCC=C)COP(=O)(F)F
InChIInChI=1S/C10H17F2O4P/c1-3-5-14-7-10(8-15-6-4-2)9-16-17(11,12)13/h3-4,10H,1-2,5-9H2
InChIKeyVIBJMNJWMUZWJG-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.07
Rot. Bonds11

About 1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane

1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane (PubChem CID 166519614) has the molecular formula C10H17F2O4P and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane.

Molecular Properties

Compound Name1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane
PubChem CID166519614
Molecular FormulaC10H17F2O4P
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane
SMILESC=CCOCC(COCC=C)COP(=O)(F)F
InChIInChI=1S/C10H17F2O4P/c1-3-5-14-7-10(8-15-6-4-2)9-16-17(11,12)13/h3-4,10H,1-2,5-9H2
InChIKeyVIBJMNJWMUZWJG-UHFFFAOYSA-N
XLogP3.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(difluorophosphoryloxymethyl)-3-(2-methylbut-3-en-2-yloxy)propoxy]-3-methylbut-1-ene
CID 166519631
2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate
CID 174891666
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
2-(prop-2-enoxymethyl)butane-1,4-diol
CID 141296364
disodium;prop-2-enyl phosphate
CID 87157623
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126
2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane
CID 170724372
zinc prop-2-enyl phosphate
CID 87515855
3-(prop-2-enoxymethyl)heptane
CID 3530837
1,2-bis(difluorophosphoryloxy)ethane
CID 139386981
prop-2-enoxymethylphosphonic acid
CID 12585568
3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
CID 58115661

Frequently Asked Questions

What is the IUPAC name of 1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane?
The IUPAC name of 1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane (CID 166519614) is 1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane.
What is the SMILES notation for 1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane?
The canonical SMILES for 1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane is C=CCOCC(COCC=C)COP(=O)(F)F.
What is the InChIKey of 1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane?
The InChIKey is VIBJMNJWMUZWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2O4P/c1-3-5-14-7-10(8-15-6-4-2)9-16-17(11,12)13/h3-4,10H,1-2,5-9H2.
What are the key properties of 1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane?
1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane has a molecular weight of 270.21 g/mol, XLogP of 3.07, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propane is sourced from PubChem (CID 166519614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).