2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene

C10H19F2O3P — CID 15418133

IUPAC2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene
SMILESC=C(C(C)C)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H19F2O3P/c1-6-14-16(13,15-7-2)10(11,12)9(5)8(3)4/h8H,5-7H2,1-4H3
InChIKeyYLTMQNDKUWAPBE-UHFFFAOYSA-N
MW256.23 g/mol
LogP4.06
Rot. Bonds7

About 2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene

2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene (PubChem CID 15418133) has the molecular formula C10H19F2O3P and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene.

Molecular Properties

Compound Name2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene
PubChem CID15418133
Molecular FormulaC10H19F2O3P
Molecular Weight256.23 g/mol
Exact Mass256.10
IUPAC Name2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene
SMILESC=C(C(C)C)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H19F2O3P/c1-6-14-16(13,15-7-2)10(11,12)9(5)8(3)4/h8H,5-7H2,1-4H3
InChIKeyYLTMQNDKUWAPBE-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 54.06
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

(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene
CID 12843910
2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094
(1,1-Difluoro-3-methylbut-3-enyl)-dipropoxyphosphane
CID 167149223
(E)-1-diethoxyphosphoryl-2,3-dimethylbut-1-ene
CID 134877967
1-Diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene
CID 11437096
(1,1-Difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid
CID 11975163
5-Diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene
CID 14268061
2-[Diethoxyphosphoryl(difluoro)methyl]but-1-ene
CID 15418132
2-[Diethoxyphosphoryl(difluoro)methyl]hex-1-ene
CID 15418134
(Z)-1-diethoxyphosphoryl-3-methyl-2-(trifluoromethyl)pent-1-ene
CID 101841949
(Z)-1-diethoxyphosphoryl-3-methyl-2-(trifluoromethyl)but-1-ene
CID 101841950
(E)-1-diethoxyphosphoryl-2-(trifluoromethyl)but-1-ene
CID 101841956

Frequently Asked Questions

What is the IUPAC name of 2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene?
The IUPAC name of 2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene (CID 15418133) is 2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene.
What is the SMILES notation for 2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene?
The canonical SMILES for 2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene is C=C(C(C)C)C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene?
The InChIKey is YLTMQNDKUWAPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2O3P/c1-6-14-16(13,15-7-2)10(11,12)9(5)8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene?
2-[diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene has a molecular weight of 256.23 g/mol, XLogP of 4.06, 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]-3-methylbut-1-ene is sourced from PubChem (CID 15418133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).