1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene

C11H19F2O3P — CID 102254200

IUPAC1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene
SMILESCCOP(=O)(OCC)C(F)(F)C=C=C(C)CC
InChIInChI=1S/C11H19F2O3P/c1-5-10(4)8-9-11(12,13)17(14,15-6-2)16-7-3/h9H,5-7H2,1-4H3
InChIKeyICIAQNPZQYFSTH-UHFFFAOYSA-N
MW268.24 g/mol
LogP4.36
Rot. Bonds7

About 1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene

1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene (PubChem CID 102254200) has the molecular formula C11H19F2O3P and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene
PubChem CID102254200
Molecular FormulaC11H19F2O3P
Molecular Weight268.24 g/mol
Exact Mass268.10
IUPAC Name1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene
SMILESCCOP(=O)(OCC)C(F)(F)C=C=C(C)CC
InChIInChI=1S/C11H19F2O3P/c1-5-10(4)8-9-11(12,13)17(14,15-6-2)16-7-3/h9H,5-7H2,1-4H3
InChIKeyICIAQNPZQYFSTH-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
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
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
(1,1-Difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid
CID 76764487
2-Diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene
CID 102260717
(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
1-Diethoxyphosphoryl-1,1-difluoro-4-methylpenta-2,3-diene
CID 101098290
(1,1-Difluoro-3-methylbut-3-enyl)-dipropoxyphosphane
CID 167149223
5-Diethoxyphosphoryl-2-methylhexa-2,3-diene
CID 12534457
(3E)-4-diethoxyphosphoryl-1,1-difluoro-2-methylbuta-1,3-diene
CID 10331842

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene?
The IUPAC name of 1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene (CID 102254200) is 1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene?
The canonical SMILES for 1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene is CCOP(=O)(OCC)C(F)(F)C=C=C(C)CC.
What is the InChIKey of 1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene?
The InChIKey is ICIAQNPZQYFSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2O3P/c1-5-10(4)8-9-11(12,13)17(14,15-6-2)16-7-3/h9H,5-7H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene?
1-diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene has a molecular weight of 268.24 g/mol, XLogP of 4.36, 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-4-methylhexa-2,3-diene is sourced from PubChem (CID 102254200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).