1-diethoxyphosphoryl-1-fluoroocta-1,2-diene

C12H22FO3P — CID 10611631

IUPAC1-diethoxyphosphoryl-1-fluoroocta-1,2-diene
SMILESCCCCCC=C=C(F)P(=O)(OCC)OCC
InChIInChI=1S/C12H22FO3P/c1-4-7-8-9-10-11-12(13)17(14,15-5-2)16-6-3/h10H,4-9H2,1-3H3
InChIKeySVYZEDWKRGYAII-UHFFFAOYSA-N
MW264.28 g/mol
LogP4.80
Rot. Bonds9

About 1-diethoxyphosphoryl-1-fluoroocta-1,2-diene

1-diethoxyphosphoryl-1-fluoroocta-1,2-diene (PubChem CID 10611631) has the molecular formula C12H22FO3P and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-fluoroocta-1,2-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-fluoroocta-1,2-diene
PubChem CID10611631
Molecular FormulaC12H22FO3P
Molecular Weight264.28 g/mol
Exact Mass264.13
IUPAC Name1-diethoxyphosphoryl-1-fluoroocta-1,2-diene
SMILESCCCCCC=C=C(F)P(=O)(OCC)OCC
InChIInChI=1S/C12H22FO3P/c1-4-7-8-9-10-11-12(13)17(14,15-5-2)16-6-3/h10H,4-9H2,1-3H3
InChIKeySVYZEDWKRGYAII-UHFFFAOYSA-N
XLogP4.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
Diethyl 1-octen-2-yl-phosphonate
CID 10857821
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
6-Diethoxyphosphorylhept-1-ene
CID 85795853
(E)-1-diethoxyphosphorylhept-1-ene
CID 10879051
2-[Bis(2,2,2-trifluoroethoxy)phosphoryl]oct-1-ene
CID 175713391
(E)-1-chloro-1-diethoxyphosphorylhept-1-ene
CID 10923566
1-Diethoxyphosphorylocta-1,2-diene
CID 13016165
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346
Ethoxy(hepta-1,2-dien-3-yl)phosphinic acid
CID 25215583

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1-fluoroocta-1,2-diene?
The IUPAC name of 1-diethoxyphosphoryl-1-fluoroocta-1,2-diene (CID 10611631) is 1-diethoxyphosphoryl-1-fluoroocta-1,2-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-1-fluoroocta-1,2-diene?
The canonical SMILES for 1-diethoxyphosphoryl-1-fluoroocta-1,2-diene is CCCCCC=C=C(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1-fluoroocta-1,2-diene?
The InChIKey is SVYZEDWKRGYAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FO3P/c1-4-7-8-9-10-11-12(13)17(14,15-5-2)16-6-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1-fluoroocta-1,2-diene?
1-diethoxyphosphoryl-1-fluoroocta-1,2-diene has a molecular weight of 264.28 g/mol, XLogP of 4.80, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-fluoroocta-1,2-diene is sourced from PubChem (CID 10611631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).