tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium

C17H37F2O3P2+ — CID 71317741

IUPACtributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C17H37F2O3P2/c1-6-11-14-23(15-12-7-2,16-13-8-3)17(18,19)24(20,21-9-4)22-10-5/h6-16H2,1-5H3/q+1
InChIKeySMJBVAXGKMSZJM-UHFFFAOYSA-N
MW389.42 g/mol
LogP7.22
Rot. Bonds15

About tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium

tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium (PubChem CID 71317741) has the molecular formula C17H37F2O3P2+ and a molecular weight of 389.42 g/mol. Its IUPAC name is tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium.

Molecular Properties

Compound Nametributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium
PubChem CID71317741
Molecular FormulaC17H37F2O3P2+
Molecular Weight389.42 g/mol
Exact Mass389.22
IUPAC Nametributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C17H37F2O3P2/c1-6-11-14-23(15-12-7-2,16-13-8-3)17(18,19)24(20,21-9-4)22-10-5/h6-16H2,1-5H3/q+1
InChIKeySMJBVAXGKMSZJM-UHFFFAOYSA-N
XLogP7.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-1,1-difluoro-2-methylundecane
CID 15272233
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
1-[(E)-3-diethoxyphosphoryl-3,3-difluoroprop-1-enoxy]butane
CID 11637796
(2R)-1-diethoxyphosphoryl-2-fluorohexane
CID 125470992
1-diethoxyphosphoryl-1,1-difluorohept-2-yne
CID 11737242
(E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene
CID 10539959
1,1-dichloro-1-diethoxyphosphorylheptan-2-ol
CID 23128735
tributyl(diethoxyphosphoryloxy)phosphanium
CID 175318995
1-bromo-N-diethoxyphosphorylhexan-2-amine
CID 13495058
4-(diethoxyphosphorylmethyl)octane
CID 102507048
1-bromo-2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 11130909

Frequently Asked Questions

What is the IUPAC name of tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium?
The IUPAC name of tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium (CID 71317741) is tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium.
What is the SMILES notation for tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium?
The canonical SMILES for tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium is CCCC[P+](CCCC)(CCCC)C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium?
The InChIKey is SMJBVAXGKMSZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37F2O3P2/c1-6-11-14-23(15-12-7-2,16-13-8-3)17(18,19)24(20,21-9-4)22-10-5/h6-16H2,1-5H3/q+1.
What are the key properties of tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium?
tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium has a molecular weight of 389.42 g/mol, XLogP of 7.22, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium is sourced from PubChem (CID 71317741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).