4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene

C10H16F3O3P — CID 90706509

IUPAC4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene
SMILESC=CCCOP(=O)(CC(F)(F)F)OCCC=C
InChIInChI=1S/C10H16F3O3P/c1-3-5-7-15-17(14,9-10(11,12)13)16-8-6-4-2/h3-4H,1-2,5-9H2
InChIKeyWXXVGASSNVROKH-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.93
Rot. Bonds9

About 4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene

4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene (PubChem CID 90706509) has the molecular formula C10H16F3O3P and a molecular weight of 272.20 g/mol. Its IUPAC name is 4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene.

Molecular Properties

Compound Name4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene
PubChem CID90706509
Molecular FormulaC10H16F3O3P
Molecular Weight272.20 g/mol
Exact Mass272.08
IUPAC Name4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene
SMILESC=CCCOP(=O)(CC(F)(F)F)OCCC=C
InChIInChI=1S/C10H16F3O3P/c1-3-5-7-15-17(14,9-10(11,12)13)16-8-6-4-2/h3-4H,1-2,5-9H2
InChIKeyWXXVGASSNVROKH-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
(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
(Z)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 139264136
4-Diethoxyphosphoryl-4-fluorobut-1-ene
CID 10774791
3-[Prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
CID 87155765
4-[Ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxy-5,5,5-trifluoropent-1-ene
CID 87623809
3-[Butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphoryl]oxy-4,4,4-trifluorobut-1-ene
CID 87624466
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

Frequently Asked Questions

What is the IUPAC name of 4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene?
The IUPAC name of 4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene (CID 90706509) is 4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene.
What is the SMILES notation for 4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene?
The canonical SMILES for 4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene is C=CCCOP(=O)(CC(F)(F)F)OCCC=C.
What is the InChIKey of 4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene?
The InChIKey is WXXVGASSNVROKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3O3P/c1-3-5-7-15-17(14,9-10(11,12)13)16-8-6-4-2/h3-4H,1-2,5-9H2.
What are the key properties of 4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene?
4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene has a molecular weight of 272.20 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[but-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene is sourced from PubChem (CID 90706509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).