2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene

C10H18F3O3P — CID 10265338

IUPAC2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene
SMILESCCOP(=O)(CC(=C(C)C)C(F)(F)F)OCC
InChIInChI=1S/C10H18F3O3P/c1-5-15-17(14,16-6-2)7-9(8(3)4)10(11,12)13/h5-7H2,1-4H3
InChIKeyMWQQAHPFMWMRNY-UHFFFAOYSA-N
MW274.22 g/mol
LogP4.15
Rot. Bonds6

About 2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene

2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene (PubChem CID 10265338) has the molecular formula C10H18F3O3P and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene
PubChem CID10265338
Molecular FormulaC10H18F3O3P
Molecular Weight274.22 g/mol
Exact Mass274.09
IUPAC Name2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene
SMILESCCOP(=O)(CC(=C(C)C)C(F)(F)F)OCC
InChIInChI=1S/C10H18F3O3P/c1-5-15-17(14,16-6-2)7-9(8(3)4)10(11,12)13/h5-7H2,1-4H3
InChIKeyMWQQAHPFMWMRNY-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 54.15
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 perfluoroisobutenylphosphonate
CID 129801668
Copper(1+);1-diethoxyphosphoryl-1,1,4,4,4-pentafluoro-2-(trifluoromethyl)but-2-ene
CID 139264095
(E)-1-diethoxyphosphoryl-1,1,4,4,4-pentafluoro-3-methyl-2-(trifluoromethyl)but-2-ene
CID 139264097
2-[Di(propan-2-yloxy)phosphorylmethyl]-1,1,1-trifluoro-3-methylbut-2-ene
CID 10040568
2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094
(E)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921764
2-Diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene
CID 102260717
Diethyl (2,3,3-trifluro-2propenyl)phosphonate
CID 54339468
1-[Propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane
CID 91477221
1-[Ethoxy(2,2,2-trifluoroethoxy)phosphoryl]butane
CID 91570493
1-Diethoxyphosphoryl-1,1-difluoro-4-methylpenta-2,3-diene
CID 101098290
2-Diethoxyphosphoryl-1,1-difluoro-2-methylpropane
CID 151036446

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene?
The IUPAC name of 2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene (CID 10265338) is 2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene.
What is the SMILES notation for 2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene?
The canonical SMILES for 2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene is CCOP(=O)(CC(=C(C)C)C(F)(F)F)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene?
The InChIKey is MWQQAHPFMWMRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3O3P/c1-5-15-17(14,16-6-2)7-9(8(3)4)10(11,12)13/h5-7H2,1-4H3.
What are the key properties of 2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene?
2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene has a molecular weight of 274.22 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene is sourced from PubChem (CID 10265338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).