tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane

C18H27Cl2F3Sn — CID 86204959

IUPACtributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(F)c(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C6Cl2F3.3C4H9.Sn/c7-4-2(9)1-3(10)5(8)6(4)11;3*1-3-4-2;/h;3*1,3-4H2,2H3;
InChIKeyWCMYQNCOSIVIPZ-UHFFFAOYSA-N
MW490.03 g/mol
LogP7.47
Rot. Bonds10

About tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane

tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane (PubChem CID 86204959) has the molecular formula C18H27Cl2F3Sn and a molecular weight of 490.03 g/mol. Its IUPAC name is tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane.

Molecular Properties

Compound Nametributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane
PubChem CID86204959
Molecular FormulaC18H27Cl2F3Sn
Molecular Weight490.03 g/mol
Exact Mass490.05
IUPAC Nametributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(F)c(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C6Cl2F3.3C4H9.Sn/c7-4-2(9)1-3(10)5(8)6(4)11;3*1-3-4-2;/h;3*1,3-4H2,2H3;
InChIKeyWCMYQNCOSIVIPZ-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.03
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

tributyl-(4-chloro-2-fluorophenyl)stannane
CID 139884549
tributyl-(2,6-difluoro-3-methoxyphenyl)stannane
CID 177422057
magnesium;butyl(trichloro)stannane;hydride
CID 174801683
(2-bromo-6-fluorophenyl)-tributylstannane
CID 134948471
tributyl-(2,6-difluoro-4-isocyanophenyl)stannane
CID 140689230
tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane
CID 15738842
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
beryllium;hexane;hydride
CID 173045264
tetrabutylstannane
CID 160899301
dibutyl(dichloro)stannane;dihydrochloride
CID 174960716
tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane
CID 172784072
tributyl-[6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzothiadiazol-4-yl]stannane
CID 158376816

Frequently Asked Questions

What is the IUPAC name of tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane?
The IUPAC name of tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane (CID 86204959) is tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane.
What is the SMILES notation for tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane?
The canonical SMILES for tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane is CCCC[Sn](CCCC)(CCCC)c1c(F)c(Cl)c(F)c(Cl)c1F.
What is the InChIKey of tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane?
The InChIKey is WCMYQNCOSIVIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F3.3C4H9.Sn/c7-4-2(9)1-3(10)5(8)6(4)11;3*1-3-4-2;/h;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane?
tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane has a molecular weight of 490.03 g/mol, XLogP of 7.47, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane is sourced from PubChem (CID 86204959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).