5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene

C11H15F6O3P — CID 90920205

IUPAC5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene
SMILESC=CCC(OP(C)(=O)OC(CC=C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6O3P/c1-4-6-8(10(12,13)14)19-21(3,18)20-9(7-5-2)11(15,16)17/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyZMFSJOXBTCBZKO-UHFFFAOYSA-N
MW340.20 g/mol
LogP4.86
Rot. Bonds8

About 5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene

5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene (PubChem CID 90920205) has the molecular formula C11H15F6O3P and a molecular weight of 340.20 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene
PubChem CID90920205
Molecular FormulaC11H15F6O3P
Molecular Weight340.20 g/mol
Exact Mass340.07
IUPAC Name5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene
SMILESC=CCC(OP(C)(=O)OC(CC=C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6O3P/c1-4-6-8(10(12,13)14)19-21(3,18)20-9(7-5-2)11(15,16)17/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyZMFSJOXBTCBZKO-UHFFFAOYSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene?
The IUPAC name of 5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene (CID 90920205) is 5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene is C=CCC(OP(C)(=O)OC(CC=C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene?
The InChIKey is ZMFSJOXBTCBZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6O3P/c1-4-6-8(10(12,13)14)19-21(3,18)20-9(7-5-2)11(15,16)17/h4-5,8-9H,1-2,6-7H2,3H3.
What are the key properties of 5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene?
5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene has a molecular weight of 340.20 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene is sourced from PubChem (CID 90920205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).