5,5,5-trifluoropent-1-enyl dihydrogen phosphate

C5H8F3O4P — CID 175154770

IUPAC5,5,5-trifluoropent-1-enyl dihydrogen phosphate
SMILESO=P(O)(O)OC=CCCC(F)(F)F
InChIInChI=1S/C5H8F3O4P/c6-5(7,8)3-1-2-4-12-13(9,10)11/h2,4H,1,3H2,(H2,9,10,11)
InChIKeyRUQBLJKKPFYCMX-UHFFFAOYSA-N
MW220.08 g/mol
LogP1.95
Rot. Bonds4

About 5,5,5-trifluoropent-1-enyl dihydrogen phosphate

5,5,5-trifluoropent-1-enyl dihydrogen phosphate (PubChem CID 175154770) has the molecular formula C5H8F3O4P and a molecular weight of 220.08 g/mol. Its IUPAC name is 5,5,5-trifluoropent-1-enyl dihydrogen phosphate.

Molecular Properties

Compound Name5,5,5-trifluoropent-1-enyl dihydrogen phosphate
PubChem CID175154770
Molecular FormulaC5H8F3O4P
Molecular Weight220.08 g/mol
Exact Mass220.01
IUPAC Name5,5,5-trifluoropent-1-enyl dihydrogen phosphate
SMILESO=P(O)(O)OC=CCCC(F)(F)F
InChIInChI=1S/C5H8F3O4P/c6-5(7,8)3-1-2-4-12-13(9,10)11/h2,4H,1,3H2,(H2,9,10,11)
InChIKeyRUQBLJKKPFYCMX-UHFFFAOYSA-N
XLogP1.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(E)-hex-1-enyl] dihydrogen phosphate
CID 19800837
[(E)-non-1-enyl] dihydrogen phosphate
CID 19800808
ethoxyethane;[(E)-octadec-1-enyl] dihydrogen phosphate
CID 88647688
(E)-6,6,6-trifluorohex-2-enoic acid
CID 87397076
(1-fluoro-4-phosphonooxybuta-1,3-dienyl)phosphonic acid
CID 175435755
6,6,6-trifluorohexyl dihydrogen phosphate
CID 87919212
methylphosphonic acid;bis(4,4,4-trifluorobutan-1-amine)
CID 171929841
1,1,2,2,3,3,6,6,6-nonafluorohexyl dihydrogen phosphate
CID 87764854
bis(hept-1-enyl) hydrogen phosphate
CID 54526218
bis(hept-1-enyl) hydrogen phosphate;bis(non-1-enyl) hydrogen phosphate;bis(oct-1-enyl) hydrogen phosphate
CID 160525345
2-[hydroxy-[(E)-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-enoxy]phosphoryl]oxyethyl-trimethylazanium
CID 10460641
8,8,8-trifluorooctylphosphonic acid
CID 152742965

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoropent-1-enyl dihydrogen phosphate?
The IUPAC name of 5,5,5-trifluoropent-1-enyl dihydrogen phosphate (CID 175154770) is 5,5,5-trifluoropent-1-enyl dihydrogen phosphate.
What is the SMILES notation for 5,5,5-trifluoropent-1-enyl dihydrogen phosphate?
The canonical SMILES for 5,5,5-trifluoropent-1-enyl dihydrogen phosphate is O=P(O)(O)OC=CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropent-1-enyl dihydrogen phosphate?
The InChIKey is RUQBLJKKPFYCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O4P/c6-5(7,8)3-1-2-4-12-13(9,10)11/h2,4H,1,3H2,(H2,9,10,11).
What are the key properties of 5,5,5-trifluoropent-1-enyl dihydrogen phosphate?
5,5,5-trifluoropent-1-enyl dihydrogen phosphate has a molecular weight of 220.08 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropent-1-enyl dihydrogen phosphate is sourced from PubChem (CID 175154770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).