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

C9H17F2O3P — CID 15418132

IUPAC2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene
SMILESC=C(CC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H17F2O3P/c1-5-8(4)9(10,11)15(12,13-6-2)14-7-3/h4-7H2,1-3H3
InChIKeyYNOJGPOPYDDDMN-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.81
Rot. Bonds7

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

2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene (PubChem CID 15418132) has the molecular formula C9H17F2O3P and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene.

Molecular Properties

Compound Name2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene
PubChem CID15418132
Molecular FormulaC9H17F2O3P
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene
SMILESC=C(CC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H17F2O3P/c1-5-8(4)9(10,11)15(12,13-6-2)14-7-3/h4-7H2,1-3H3
InChIKeyYNOJGPOPYDDDMN-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.81
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

Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
(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-1,1,1-trifluoro-4-methylpenta-2,3-diene
CID 102260717
(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
But-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 87623279
1-Diethoxyphosphoryl-1,1-difluoro-4-methylpenta-2,3-diene
CID 101098290
(1,1-Difluoro-3-methylbut-3-enyl)-dipropoxyphosphane
CID 167149223
(E)-1-diethoxyphosphoryl-2-methylbut-1-ene
CID 134894960
(3E)-4-diethoxyphosphoryl-1,1-difluoro-2-methylbuta-1,3-diene
CID 10331842
(3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene
CID 11254278
1-Diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene
CID 11437096

Frequently Asked Questions

What is the IUPAC name of 2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene?
The IUPAC name of 2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene (CID 15418132) is 2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene.
What is the SMILES notation for 2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene?
The canonical SMILES for 2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene is C=C(CC)C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene?
The InChIKey is YNOJGPOPYDDDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2O3P/c1-5-8(4)9(10,11)15(12,13-6-2)14-7-3/h4-7H2,1-3H3.
What are the key properties of 2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene?
2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene has a molecular weight of 242.20 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxyphosphoryl(difluoro)methyl]but-1-ene is sourced from PubChem (CID 15418132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).