tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane

C19H38F3O3PSn — CID 134974432

IUPACtributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\C(F)(F)F)P(=O)(OCC)OCC
InChIInChI=1S/C7H11F3O3P.3C4H9.Sn/c1-3-12-14(11,13-4-2)6-5-7(8,9)10;3*1-3-4-2;/h5H,3-4H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyHHKPXEZZRAFCMW-UHFFFAOYSA-N
MW521.19 g/mol
LogP8.09
Rot. Bonds15

About tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane

tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane (PubChem CID 134974432) has the molecular formula C19H38F3O3PSn and a molecular weight of 521.19 g/mol. Its IUPAC name is tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane
PubChem CID134974432
Molecular FormulaC19H38F3O3PSn
Molecular Weight521.19 g/mol
Exact Mass522.15
IUPAC Nametributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\C(F)(F)F)P(=O)(OCC)OCC
InChIInChI=1S/C7H11F3O3P.3C4H9.Sn/c1-3-12-14(11,13-4-2)6-5-7(8,9)10;3*1-3-4-2;/h5H,3-4H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyHHKPXEZZRAFCMW-UHFFFAOYSA-N
XLogP8.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.19
LogP ≤ 58.09
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-4-methylpenta-2,3-diene
CID 101098290
Diethyl (1,1-difluorobuta-2,3-dien-1-yl)phosphonate
CID 14268064
tributyl-[(E)-1-diethoxyphosphoryl-3,3-difluoro-1-tributylstannylprop-1-en-2-yl]stannane
CID 44518589
tributyl-[(E)-1-diethoxyphosphoryl-3,3,3-trifluoro-1-tributylstannylprop-1-en-2-yl]stannane
CID 44519094
1-Diethoxyphosphoryl-1,1-difluoropenta-2,3-diene
CID 101098287
1-Diethoxyphosphoryl-1,1-difluorohexa-2,3-diene
CID 102254203
tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoro-1-tributylstannylprop-1-en-2-yl]stannane
CID 177469795
tributyl-[(E)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane
CID 177508072
tributyl-[(E)-1-diethoxyphosphorylprop-1-enyl]stannane
CID 177486949

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane (CID 134974432) is tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C\C(F)(F)F)P(=O)(OCC)OCC.
What is the InChIKey of tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane?
The InChIKey is HHKPXEZZRAFCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O3P.3C4H9.Sn/c1-3-12-14(11,13-4-2)6-5-7(8,9)10;3*1-3-4-2;/h5H,3-4H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane?
tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane has a molecular weight of 521.19 g/mol, XLogP of 8.09, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-enyl]stannane is sourced from PubChem (CID 134974432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).