1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene

C8H12F3O3P — CID 91307337

IUPAC1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
SMILESCC=COP(=O)(CC(F)(F)F)OC=CC
InChIInChI=1S/C8H12F3O3P/c1-3-5-13-15(12,14-6-4-2)7-8(9,10)11/h3-6H,7H2,1-2H3
InChIKeyHNEDOKFDKXTZMZ-UHFFFAOYSA-N
MW244.15 g/mol
LogP3.84
Rot. Bonds5

About 1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene

1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene (PubChem CID 91307337) has the molecular formula C8H12F3O3P and a molecular weight of 244.15 g/mol. Its IUPAC name is 1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
PubChem CID91307337
Molecular FormulaC8H12F3O3P
Molecular Weight244.15 g/mol
Exact Mass244.05
IUPAC Name1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
SMILESCC=COP(=O)(CC(F)(F)F)OC=CC
InChIInChI=1S/C8H12F3O3P/c1-3-5-13-15(12,14-6-4-2)7-8(9,10)11/h3-6H,7H2,1-2H3
InChIKeyHNEDOKFDKXTZMZ-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
(Z)-1-diethoxyphosphoryl-1-fluorobut-2-ene
CID 11042014
(E)-1-diethoxyphosphoryl-3-fluoroprop-1-ene
CID 12713685
3-Diethoxyphosphoryl-3,3-difluoroprop-1-ene
CID 15418131
3-Diethoxyphosphoryl-3-fluoroprop-1-ene
CID 15449243
(1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
CID 135080814
(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
CID 135080968
3-[Bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene
CID 24778233
(E)-1-fluoro-3-[[(E)-3-fluoroprop-2-enoxy]-methylphosphoryl]oxyprop-1-ene
CID 87155403
3-[2,2,2-Trifluoroethoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
CID 87155499
1-[Ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane
CID 87155744
3-[Prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
CID 87155765

Frequently Asked Questions

What is the IUPAC name of 1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
The IUPAC name of 1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene (CID 91307337) is 1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene is CC=COP(=O)(CC(F)(F)F)OC=CC.
What is the InChIKey of 1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
The InChIKey is HNEDOKFDKXTZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3O3P/c1-3-5-13-15(12,14-6-4-2)7-8(9,10)11/h3-6H,7H2,1-2H3.
What are the key properties of 1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene has a molecular weight of 244.15 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[prop-1-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 91307337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).