tris(3-fluoropent-4-en-2-yl) phosphate

C15H24F3O4P — CID 87515169

IUPACtris(3-fluoropent-4-en-2-yl) phosphate
SMILESC=CC(F)C(C)OP(=O)(OC(C)C(F)C=C)OC(C)C(F)C=C
InChIInChI=1S/C15H24F3O4P/c1-7-13(16)10(4)20-23(19,21-11(5)14(17)8-2)22-12(6)15(18)9-3/h7-15H,1-3H2,4-6H3
InChIKeyXSVNQZZSLFMKTP-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.88
Rot. Bonds12

About tris(3-fluoropent-4-en-2-yl) phosphate

tris(3-fluoropent-4-en-2-yl) phosphate (PubChem CID 87515169) has the molecular formula C15H24F3O4P and a molecular weight of 356.32 g/mol. Its IUPAC name is tris(3-fluoropent-4-en-2-yl) phosphate.

Molecular Properties

Compound Nametris(3-fluoropent-4-en-2-yl) phosphate
PubChem CID87515169
Molecular FormulaC15H24F3O4P
Molecular Weight356.32 g/mol
Exact Mass356.14
IUPAC Nametris(3-fluoropent-4-en-2-yl) phosphate
SMILESC=CC(F)C(C)OP(=O)(OC(C)C(F)C=C)OC(C)C(F)C=C
InChIInChI=1S/C15H24F3O4P/c1-7-13(16)10(4)20-23(19,21-11(5)14(17)8-2)22-12(6)15(18)9-3/h7-15H,1-3H2,4-6H3
InChIKeyXSVNQZZSLFMKTP-UHFFFAOYSA-N
XLogP4.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dipropan-2-yl (1-fluorobut-3-en-1-yl)phosphonate
CID 13133774
4-Bis(prop-1-en-2-yl)phosphoryloxypent-1-ene
CID 11600958
3-Fluoropent-4-en-2-yl dihydrogen phosphate
CID 87515172
4-[Ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxy-5,5,5-trifluoropent-1-ene
CID 87623809
Butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 87624873
4-[Butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxy-5,5,5-trifluoropent-1-ene
CID 87624874
5,5,5-Trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene
CID 90920205
Methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 117902483
Diethyl 4-fluorohepta-1,6-dien-4-yl phosphate
CID 124112887
1,1-Difluorohepta-1,6-dien-4-yl dihydrogen phosphate
CID 175351933
1,1-Difluorohexa-1,5-dien-3-yl dihydrogen phosphate
CID 175386377
But-3-en-2-yl diethyl phosphate
CID 12552843

Frequently Asked Questions

What is the IUPAC name of tris(3-fluoropent-4-en-2-yl) phosphate?
The IUPAC name of tris(3-fluoropent-4-en-2-yl) phosphate (CID 87515169) is tris(3-fluoropent-4-en-2-yl) phosphate.
What is the SMILES notation for tris(3-fluoropent-4-en-2-yl) phosphate?
The canonical SMILES for tris(3-fluoropent-4-en-2-yl) phosphate is C=CC(F)C(C)OP(=O)(OC(C)C(F)C=C)OC(C)C(F)C=C.
What is the InChIKey of tris(3-fluoropent-4-en-2-yl) phosphate?
The InChIKey is XSVNQZZSLFMKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3O4P/c1-7-13(16)10(4)20-23(19,21-11(5)14(17)8-2)22-12(6)15(18)9-3/h7-15H,1-3H2,4-6H3.
What are the key properties of tris(3-fluoropent-4-en-2-yl) phosphate?
tris(3-fluoropent-4-en-2-yl) phosphate has a molecular weight of 356.32 g/mol, XLogP of 4.88, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-fluoropent-4-en-2-yl) phosphate is sourced from PubChem (CID 87515169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).