5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene

C10H19F2O3P — CID 14268061

IUPAC5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene
SMILESCCOP(=O)(OCC)C(F)(F)CC=C(C)C
InChIInChI=1S/C10H19F2O3P/c1-5-14-16(13,15-6-2)10(11,12)8-7-9(3)4/h7H,5-6,8H2,1-4H3
InChIKeyACQOYUWYBZOAOC-UHFFFAOYSA-N
MW256.23 g/mol
LogP4.20
Rot. Bonds7

About 5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene

5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene (PubChem CID 14268061) has the molecular formula C10H19F2O3P and a molecular weight of 256.23 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene.

Molecular Properties

Compound Name5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene
PubChem CID14268061
Molecular FormulaC10H19F2O3P
Molecular Weight256.23 g/mol
Exact Mass256.10
IUPAC Name5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene
SMILESCCOP(=O)(OCC)C(F)(F)CC=C(C)C
InChIInChI=1S/C10H19F2O3P/c1-5-14-16(13,15-6-2)10(11,12)8-7-9(3)4/h7H,5-6,8H2,1-4H3
InChIKeyACQOYUWYBZOAOC-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 54.20
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

((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
(4E)-5-[diethoxyphosphoryl(difluoro)methyl]-6,6,6-trifluoro-4-(trifluoromethyl)hexa-1,4-diene
CID 11003655
(Z)-2-diethoxyphosphoryl-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pent-2-ene
CID 12152410
4-Diethoxyphosphoryl-1,1,1,3,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 12152411
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 14268060
(Z)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 139264136
(E)-2-diethoxyphosphorylpent-2-ene
CID 13613003
(Cyclohex-1-enyl-difluoro-methyl)-phosphonic acid diethyl ester
CID 10563797
(E)-5-diethoxyphosphoryl-5-fluoropent-2-ene
CID 10775488
(E)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921764
1-Diethoxyphosphoryl-1,1-difluoro-4-methylpenta-2,3-diene
CID 101098290
(1,1-Difluoro-3-methylbut-3-enyl)-dipropoxyphosphane
CID 167149223

Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene?
The IUPAC name of 5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene (CID 14268061) is 5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene.
What is the SMILES notation for 5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene?
The canonical SMILES for 5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene is CCOP(=O)(OCC)C(F)(F)CC=C(C)C.
What is the InChIKey of 5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene?
The InChIKey is ACQOYUWYBZOAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2O3P/c1-5-14-16(13,15-6-2)10(11,12)8-7-9(3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of 5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene?
5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene has a molecular weight of 256.23 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene is sourced from PubChem (CID 14268061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).