difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane

C11H17F2O3P — CID 166521051

IUPACdifluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane
SMILESC#CCOCC(COC(C)(C)C=C)OP(F)F
InChIInChI=1S/C11H17F2O3P/c1-5-7-14-8-10(16-17(12)13)9-15-11(3,4)6-2/h1,6,10H,2,7-9H2,3-4H3
InChIKeyIMKKGPXEYUTLTF-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.17
Rot. Bonds9

About difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane

difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane (PubChem CID 166521051) has the molecular formula C11H17F2O3P and a molecular weight of 266.22 g/mol. Its IUPAC name is difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane.

Molecular Properties

Compound Namedifluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane
PubChem CID166521051
Molecular FormulaC11H17F2O3P
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Namedifluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane
SMILESC#CCOCC(COC(C)(C)C=C)OP(F)F
InChIInChI=1S/C11H17F2O3P/c1-5-7-14-8-10(16-17(12)13)9-15-11(3,4)6-2/h1,6,10H,2,7-9H2,3-4H3
InChIKeyIMKKGPXEYUTLTF-UHFFFAOYSA-N
XLogP3.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-heptadecoxy-3-prop-2-ynoxypropoxy)heptadecane
CID 101354147
3-[2-(difluorophosphoryloxymethyl)-3-(2-methylbut-3-en-2-yloxy)propoxy]-3-methylbut-1-ene
CID 166519631
2-methyl-1-prop-2-ynoxypropane
CID 57470525
1,3-bis(prop-2-ynoxy)propan-2-amine
CID 166692396
3-(2-methylbut-3-en-2-yloxy)propane-1,2-diol
CID 171441788
1-pentoxy-3-prop-2-ynoxypropan-2-ol
CID 53428013
3-methyl-1-prop-2-ynoxy-2-(prop-2-ynoxymethyl)butane
CID 140958843
2-methyl-2-(prop-2-ynoxymethoxy)propane
CID 154594071
4-(2-methylbut-3-en-2-yloxy)butanenitrile
CID 174641186
difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane
CID 166520975
2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane
CID 25199391
tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane
CID 11299800

Frequently Asked Questions

What is the IUPAC name of difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane?
The IUPAC name of difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane (CID 166521051) is difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane.
What is the SMILES notation for difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane?
The canonical SMILES for difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane is C#CCOCC(COC(C)(C)C=C)OP(F)F.
What is the InChIKey of difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane?
The InChIKey is IMKKGPXEYUTLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2O3P/c1-5-7-14-8-10(16-17(12)13)9-15-11(3,4)6-2/h1,6,10H,2,7-9H2,3-4H3.
What are the key properties of difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane?
difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane has a molecular weight of 266.22 g/mol, XLogP of 3.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[1-(2-methylbut-3-en-2-yloxy)-3-prop-2-ynoxypropan-2-yl]oxyphosphane is sourced from PubChem (CID 166521051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).