1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene

C9H15F2O3P — CID 101098287

IUPAC1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene
SMILESCC=C=CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H15F2O3P/c1-4-7-8-9(10,11)15(12,13-5-2)14-6-3/h4,8H,5-6H2,1-3H3
InChIKeyGOLBXCCGVAXSQV-UHFFFAOYSA-N
MW240.19 g/mol
LogP3.58
Rot. Bonds6

About 1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene

1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene (PubChem CID 101098287) has the molecular formula C9H15F2O3P and a molecular weight of 240.19 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene
PubChem CID101098287
Molecular FormulaC9H15F2O3P
Molecular Weight240.19 g/mol
Exact Mass240.07
IUPAC Name1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene
SMILESCC=C=CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H15F2O3P/c1-4-7-8-9(10,11)15(12,13-5-2)14-6-3/h4,8H,5-6H2,1-3H3
InChIKeyGOLBXCCGVAXSQV-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 53.58
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
(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene
CID 13196904
Diethyl (1,1,2,3,3-pentafluoroprop-2-en-1-yl)phosphonate
CID 71340986
Diethyl (1,1,3,3,3-pentafluoroprop-1-en-2-yl)phosphonate
CID 12757471
4-Diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
CID 14268063
3-Diethoxyphosphoryl-3,3-difluoroprop-1-ene
CID 15418131
1,1-Dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene
CID 71662166
Diethyl perfluoroisobutenylphosphonate
CID 129801668
Diethyl perfluoropropenylphosphonate
CID 129801700
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane
CID 134932461
tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane
CID 134974432

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene?
The IUPAC name of 1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene (CID 101098287) is 1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene?
The canonical SMILES for 1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene is CC=C=CC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene?
The InChIKey is GOLBXCCGVAXSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2O3P/c1-4-7-8-9(10,11)15(12,13-5-2)14-6-3/h4,8H,5-6H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene?
1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene has a molecular weight of 240.19 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1-difluoropenta-2,3-diene is sourced from PubChem (CID 101098287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).