3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene

C6H10F3O3P — CID 87156060

IUPAC3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(CC(F)(F)F)OC
InChIInChI=1S/C6H10F3O3P/c1-3-4-12-13(10,11-2)5-6(7,8)9/h3H,1,4-5H2,2H3
InChIKeyBFUBDQFOIZVLDG-UHFFFAOYSA-N
MW218.11 g/mol
LogP2.59
Rot. Bonds5

About 3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene

3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene (PubChem CID 87156060) has the molecular formula C6H10F3O3P and a molecular weight of 218.11 g/mol. Its IUPAC name is 3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
PubChem CID87156060
Molecular FormulaC6H10F3O3P
Molecular Weight218.11 g/mol
Exact Mass218.03
IUPAC Name3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(CC(F)(F)F)OC
InChIInChI=1S/C6H10F3O3P/c1-3-4-12-13(10,11-2)5-6(7,8)9/h3H,1,4-5H2,2H3
InChIKeyBFUBDQFOIZVLDG-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.11
LogP ≤ 52.59
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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Related Compounds

Diethyl allylphosphonate
CID 573014
Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
Diethyl (1E)-prop-1-en-1-ylphosphonate
CID 5702572
Fosfomycin Impurity 18
CID 12487674
(Z)-1-diethoxyphosphoryl-2,3,3,3-tetrafluoroprop-1-ene
CID 13196903
(E)-1-diethoxyphosphoryl-3-fluoroprop-1-ene
CID 12713685
3-Diethoxyphosphoryl-3-fluoroprop-1-ene
CID 15449243
3-Diethoxyphosphoryl-2-fluoroprop-1-ene
CID 134845576
Diethyl prop-1-en-1-ylphosphonate
CID 2733601
2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-ene
CID 101511757
Phosphonic acid, methyl-, di-2-propenyl ester
CID 11309824
3-[Bis(2,2,2-trifluoroethoxy)phosphoryl]prop-1-ene
CID 24778233

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
The IUPAC name of 3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene (CID 87156060) is 3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene is C=CCOP(=O)(CC(F)(F)F)OC.
What is the InChIKey of 3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
The InChIKey is BFUBDQFOIZVLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3O3P/c1-3-4-12-13(10,11-2)5-6(7,8)9/h3H,1,4-5H2,2H3.
What are the key properties of 3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene?
3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene has a molecular weight of 218.11 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 87156060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).