tributyl-[(E)-1,2-difluorooct-1-enyl]stannane

C20H40F2Sn — CID 177427120

IUPACtributyl-[(E)-1,2-difluorooct-1-enyl]stannane
SMILESCCCCCC/C(F)=C(/F)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H13F2.3C4H9.Sn/c1-2-3-4-5-6-8(10)7-9;3*1-3-4-2;/h2-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyLOKFLEPROFKJJD-UHFFFAOYSA-N
MW437.25 g/mol
LogP8.50
Rot. Bonds15

About tributyl-[(E)-1,2-difluorooct-1-enyl]stannane

tributyl-[(E)-1,2-difluorooct-1-enyl]stannane (PubChem CID 177427120) has the molecular formula C20H40F2Sn and a molecular weight of 437.25 g/mol. Its IUPAC name is tributyl-[(E)-1,2-difluorooct-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1,2-difluorooct-1-enyl]stannane
PubChem CID177427120
Molecular FormulaC20H40F2Sn
Molecular Weight437.25 g/mol
Exact Mass438.21
IUPAC Nametributyl-[(E)-1,2-difluorooct-1-enyl]stannane
SMILESCCCCCC/C(F)=C(/F)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H13F2.3C4H9.Sn/c1-2-3-4-5-6-8(10)7-9;3*1-3-4-2;/h2-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyLOKFLEPROFKJJD-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.25
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-9,10-difluorooctadec-9-ene
CID 101427942
tributyl(dec-1-en-2-yl)stannane
CID 14784453
heptadecane;hypofluorous acid
CID 158426244
tributyl(nona-1,2-dien-3-yl)stannane
CID 86089506
(E)-3-fluoro-2-methylundec-2-enoic acid
CID 87728634
octadecane-9,10-dithione
CID 118647989
heptane;zirconium
CID 159449678
9,10-dioctyloctadec-9-ene
CID 10814462
dibutyl-dodec-1-en-2-yl-iodostannane
CID 11272490
tributyl-(1,1-difluoro-3-tributylstannylprop-1-en-2-yl)stannane
CID 10032272
5-tributylstannylhex-5-en-1-ol
CID 11773674
methanol;undecane
CID 161373911

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-1,2-difluorooct-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-1,2-difluorooct-1-enyl]stannane (CID 177427120) is tributyl-[(E)-1,2-difluorooct-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-1,2-difluorooct-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-1,2-difluorooct-1-enyl]stannane is CCCCCC/C(F)=C(/F)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-1,2-difluorooct-1-enyl]stannane?
The InChIKey is LOKFLEPROFKJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2.3C4H9.Sn/c1-2-3-4-5-6-8(10)7-9;3*1-3-4-2;/h2-6H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-1,2-difluorooct-1-enyl]stannane?
tributyl-[(E)-1,2-difluorooct-1-enyl]stannane has a molecular weight of 437.25 g/mol, XLogP of 8.50, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-1,2-difluorooct-1-enyl]stannane is sourced from PubChem (CID 177427120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).