1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene

C10H17F2O3P — CID 102254203

IUPAC1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene
SMILESCCC=C=CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H17F2O3P/c1-4-7-8-9-10(11,12)16(13,14-5-2)15-6-3/h7,9H,4-6H2,1-3H3
InChIKeyDLWPRKQAPHQGDH-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.97
Rot. Bonds7

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

1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene (PubChem CID 102254203) has the molecular formula C10H17F2O3P and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene
PubChem CID102254203
Molecular FormulaC10H17F2O3P
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene
SMILESCCC=C=CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H17F2O3P/c1-4-7-8-9-10(11,12)16(13,14-5-2)15-6-3/h7,9H,4-6H2,1-3H3
InChIKeyDLWPRKQAPHQGDH-UHFFFAOYSA-N
XLogP3.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 14268060
4-Diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
CID 14268063
3-Diethoxyphosphoryl-3,3-difluoroprop-1-ene
CID 15418131
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
CID 134933674
tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane
CID 134974432
(Z)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 139264136
4-Diethoxyphosphoryl-4-fluorobut-1-ene
CID 10774791
2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene?
The IUPAC name of 1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene (CID 102254203) is 1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene?
The canonical SMILES for 1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene is CCC=C=CC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene?
The InChIKey is DLWPRKQAPHQGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2O3P/c1-4-7-8-9-10(11,12)16(13,14-5-2)15-6-3/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene?
1-diethoxyphosphoryl-1,1-difluorohexa-2,3-diene has a molecular weight of 254.21 g/mol, XLogP of 3.97, 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-difluorohexa-2,3-diene is sourced from PubChem (CID 102254203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).