(2-bromo-6-fluorophenyl)-tributylstannane

C18H30BrFSn — CID 134948471

IUPAC(2-bromo-6-fluorophenyl)-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(F)cccc1Br
InChIInChI=1S/C6H3BrF.3C4H9.Sn/c7-5-2-1-3-6(8)4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKeyXDHVGLJWAHSYIK-UHFFFAOYSA-N
MW464.05 g/mol
LogP6.64
Rot. Bonds10

About (2-bromo-6-fluorophenyl)-tributylstannane

(2-bromo-6-fluorophenyl)-tributylstannane (PubChem CID 134948471) has the molecular formula C18H30BrFSn and a molecular weight of 464.05 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-tributylstannane.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-tributylstannane
PubChem CID134948471
Molecular FormulaC18H30BrFSn
Molecular Weight464.05 g/mol
Exact Mass464.05
IUPAC Name(2-bromo-6-fluorophenyl)-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(F)cccc1Br
InChIInChI=1S/C6H3BrF.3C4H9.Sn/c7-5-2-1-3-6(8)4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKeyXDHVGLJWAHSYIK-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.05
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tributyl-(4-chloro-2-fluorophenyl)stannane
CID 139884549
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
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CID 140689230
tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane
CID 86204959
tributyl-(4-fluoro-1-methylindazol-3-yl)stannane
CID 174732024
2-bromo-N-butyl-6-fluorobenzamide
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1-bromo-2-fluoro-3-octylbenzene
CID 155052803
1,3-dibromoazulene;tributyl-(3-methylazulen-1-yl)stannane
CID 161202030
2-bromo-6-fluoro-N-nonan-2-ylaniline
CID 107597794
1-bromo-3-methyl-2-(5-methylundecan-5-yl)benzene
CID 146636965
1-bromo-2-fluorobenzene;ethane
CID 91109851
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-tributylstannane?
The IUPAC name of (2-bromo-6-fluorophenyl)-tributylstannane (CID 134948471) is (2-bromo-6-fluorophenyl)-tributylstannane.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-tributylstannane?
The canonical SMILES for (2-bromo-6-fluorophenyl)-tributylstannane is CCCC[Sn](CCCC)(CCCC)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-tributylstannane?
The InChIKey is XDHVGLJWAHSYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF.3C4H9.Sn/c7-5-2-1-3-6(8)4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;.
What are the key properties of (2-bromo-6-fluorophenyl)-tributylstannane?
(2-bromo-6-fluorophenyl)-tributylstannane has a molecular weight of 464.05 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-tributylstannane is sourced from PubChem (CID 134948471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).