(1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane

C11H21F2O2P — CID 167149223

IUPAC(1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane
SMILESC=C(C)CC(F)(F)P(OCCC)OCCC
InChIInChI=1S/C11H21F2O2P/c1-5-7-14-16(15-8-6-2)11(12,13)9-10(3)4/h3,5-9H2,1-2,4H3
InChIKeyTYXGYHCGKMIEIZ-UHFFFAOYSA-N
MW254.26 g/mol
LogP4.71
Rot. Bonds9

About (1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane

(1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane (PubChem CID 167149223) has the molecular formula C11H21F2O2P and a molecular weight of 254.26 g/mol. Its IUPAC name is (1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane.

Molecular Properties

Compound Name(1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane
PubChem CID167149223
Molecular FormulaC11H21F2O2P
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name(1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane
SMILESC=C(C)CC(F)(F)P(OCCC)OCCC
InChIInChI=1S/C11H21F2O2P/c1-5-7-14-16(15-8-6-2)11(12,13)9-10(3)4/h3,5-9H2,1-2,4H3
InChIKeyTYXGYHCGKMIEIZ-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094
Butyl-(1,1-difluoro-3-methylbut-3-enyl)-propoxyphosphane
CID 167149080
(4,4,4-Trifluoro-2-methylbut-1-enyl) dihydrogen phosphite
CID 175166017
5-Diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene
CID 14268061
2-[Diethoxyphosphoryl(difluoro)methyl]but-1-ene
CID 15418132
2-[Diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene
CID 15418133
2-[Diethoxyphosphoryl(difluoro)methyl]hex-1-ene
CID 15418134
(Z)-1-diethoxyphosphoryl-3-methyl-2-(trifluoromethyl)but-1-ene
CID 101841950
(E)-1-diethoxyphosphoryl-2-(trifluoromethyl)but-1-ene
CID 101841956
(Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene
CID 102089618
1-Diethoxyphosphoryl-4-ethyl-1,1-difluorohexa-2,3-diene
CID 102254198
1-Diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene
CID 102254200

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane?
The IUPAC name of (1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane (CID 167149223) is (1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane.
What is the SMILES notation for (1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane?
The canonical SMILES for (1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane is C=C(C)CC(F)(F)P(OCCC)OCCC.
What is the InChIKey of (1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane?
The InChIKey is TYXGYHCGKMIEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2O2P/c1-5-7-14-16(15-8-6-2)11(12,13)9-10(3)4/h3,5-9H2,1-2,4H3.
What are the key properties of (1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane?
(1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane has a molecular weight of 254.26 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3-methylbut-3-enyl)-dipropoxyphosphane is sourced from PubChem (CID 167149223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).