2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene

C11H21F2O3P — CID 15418134

IUPAC2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene
SMILESC=C(CCCC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C11H21F2O3P/c1-5-8-9-10(4)11(12,13)17(14,15-6-2)16-7-3/h4-9H2,1-3H3
InChIKeyIOTPEDWSFKSHGP-UHFFFAOYSA-N
MW270.26 g/mol
LogP4.59
Rot. Bonds9

About 2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene

2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene (PubChem CID 15418134) has the molecular formula C11H21F2O3P and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene.

Molecular Properties

Compound Name2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene
PubChem CID15418134
Molecular FormulaC11H21F2O3P
Molecular Weight270.26 g/mol
Exact Mass270.12
IUPAC Name2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene
SMILESC=C(CCCC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C11H21F2O3P/c1-5-8-9-10(4)11(12,13)17(14,15-6-2)16-7-3/h4-9H2,1-3H3
InChIKeyIOTPEDWSFKSHGP-UHFFFAOYSA-N
XLogP4.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Cyclohex-1-enyl-difluoro-methyl)-phosphonic acid diethyl ester
CID 10563797
(1,1-Difluoro-2-methylene-octyl)-phosphonic acid diethyl ester
CID 10709179
2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094
(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
(1,1-Difluoro-3-methylbut-3-enyl)-dipropoxyphosphane
CID 167149223
1-Diethoxyphosphoryl-1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluorohept-1-ene
CID 172797373
2-[Bis(2,2,2-trifluoroethoxy)phosphoryl]oct-1-ene
CID 175713391
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
(Z)-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10633435
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
1-Diethoxyphosphoryl-1-fluoroocta-1,2-diene
CID 10611631
(3-Diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane
CID 11403641

Frequently Asked Questions

What is the IUPAC name of 2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene?
The IUPAC name of 2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene (CID 15418134) is 2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene.
What is the SMILES notation for 2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene?
The canonical SMILES for 2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene is C=C(CCCC)C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene?
The InChIKey is IOTPEDWSFKSHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2O3P/c1-5-8-9-10(4)11(12,13)17(14,15-6-2)16-7-3/h4-9H2,1-3H3.
What are the key properties of 2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene?
2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene has a molecular weight of 270.26 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxyphosphoryl(difluoro)methyl]hex-1-ene is sourced from PubChem (CID 15418134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).