1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene

C11H19F2O3P — CID 11437096

IUPAC1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene
SMILESCCOP(=O)(OCC)C(F)(F)C=C=CC(C)C
InChIInChI=1S/C11H19F2O3P/c1-5-15-17(14,16-6-2)11(12,13)9-7-8-10(3)4/h8-10H,5-6H2,1-4H3
InChIKeyMWPRZVGUHWEPAC-UHFFFAOYSA-N
MW268.24 g/mol
LogP4.21
Rot. Bonds7

About 1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene

1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene (PubChem CID 11437096) has the molecular formula C11H19F2O3P and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene
PubChem CID11437096
Molecular FormulaC11H19F2O3P
Molecular Weight268.24 g/mol
Exact Mass268.10
IUPAC Name1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene
SMILESCCOP(=O)(OCC)C(F)(F)C=C=CC(C)C
InChIInChI=1S/C11H19F2O3P/c1-5-15-17(14,16-6-2)11(12,13)9-7-8-10(3)4/h8-10H,5-6H2,1-4H3
InChIKeyMWPRZVGUHWEPAC-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene
CID 12843905
4-Diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
CID 14268063
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
CID 134933674
2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094
1-Diethoxyphosphoryl-1,1-difluoro-4-methylpenta-2,3-diene
CID 101098290
(3E)-4-diethoxyphosphoryl-1,1-difluoro-2-methylbuta-1,3-diene
CID 10331842
(Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene
CID 11066985
(Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene
CID 11172117
(3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene
CID 11254278
(E)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene
CID 11276135

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene?
The IUPAC name of 1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene (CID 11437096) is 1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene?
The canonical SMILES for 1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene is CCOP(=O)(OCC)C(F)(F)C=C=CC(C)C.
What is the InChIKey of 1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene?
The InChIKey is MWPRZVGUHWEPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2O3P/c1-5-15-17(14,16-6-2)11(12,13)9-7-8-10(3)4/h8-10H,5-6H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene?
1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene has a molecular weight of 268.24 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene is sourced from PubChem (CID 11437096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).