1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene

C8H14F3O2P — CID 90761142

IUPAC1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene
SMILESCCC=CP(=O)(CC)OCC(F)(F)F
InChIInChI=1S/C8H14F3O2P/c1-3-5-6-14(12,4-2)13-7-8(9,10)11/h5-6H,3-4,7H2,1-2H3
InChIKeyHIXNNLSIEAOGOP-UHFFFAOYSA-N
MW230.17 g/mol
LogP3.79
Rot. Bonds5

About 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene

1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene (PubChem CID 90761142) has the molecular formula C8H14F3O2P and a molecular weight of 230.17 g/mol. Its IUPAC name is 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene.

Molecular Properties

Compound Name1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene
PubChem CID90761142
Molecular FormulaC8H14F3O2P
Molecular Weight230.17 g/mol
Exact Mass230.07
IUPAC Name1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene
SMILESCCC=CP(=O)(CC)OCC(F)(F)F
InChIInChI=1S/C8H14F3O2P/c1-3-5-6-14(12,4-2)13-7-8(9,10)11/h5-6H,3-4,7H2,1-2H3
InChIKeyHIXNNLSIEAOGOP-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene
CID 13196904
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
Dipropan-2-yl (1-fluorobut-3-en-1-yl)phosphonate
CID 13133774
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 14268060
4-Diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
CID 14268063
(Z)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 139264136
4-Diethoxyphosphoryl-4-fluorobut-1-ene
CID 10774791
1-[Ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane
CID 87155744
3-[Prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
CID 87155765
3-[Methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
CID 87156060

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene?
The IUPAC name of 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene (CID 90761142) is 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene.
What is the SMILES notation for 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene?
The canonical SMILES for 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene is CCC=CP(=O)(CC)OCC(F)(F)F.
What is the InChIKey of 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene?
The InChIKey is HIXNNLSIEAOGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3O2P/c1-3-5-6-14(12,4-2)13-7-8(9,10)11/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene?
1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene has a molecular weight of 230.17 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]but-1-ene is sourced from PubChem (CID 90761142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).