tributyl-(2,6-difluoro-3-methoxyphenyl)stannane

C19H32F2OSn — CID 177422057

IUPACtributyl-(2,6-difluoro-3-methoxyphenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(F)ccc(OC)c1F
InChIInChI=1S/C7H5F2O.3C4H9.Sn/c1-10-7-3-2-5(8)4-6(7)9;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKeyFULDOVGYZMEBAI-UHFFFAOYSA-N
MW433.17 g/mol
LogP6.03
Rot. Bonds11

About tributyl-(2,6-difluoro-3-methoxyphenyl)stannane

tributyl-(2,6-difluoro-3-methoxyphenyl)stannane (PubChem CID 177422057) has the molecular formula C19H32F2OSn and a molecular weight of 433.17 g/mol. Its IUPAC name is tributyl-(2,6-difluoro-3-methoxyphenyl)stannane.

Molecular Properties

Compound Nametributyl-(2,6-difluoro-3-methoxyphenyl)stannane
PubChem CID177422057
Molecular FormulaC19H32F2OSn
Molecular Weight433.17 g/mol
Exact Mass434.14
IUPAC Nametributyl-(2,6-difluoro-3-methoxyphenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(F)ccc(OC)c1F
InChIInChI=1S/C7H5F2O.3C4H9.Sn/c1-10-7-3-2-5(8)4-6(7)9;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKeyFULDOVGYZMEBAI-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.17
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
1-butoxy-2,3-difluoro-4-heptoxybenzene;1-butoxy-2,3-difluoro-4-hexoxybenzene;1-butoxy-2,3-difluoro-4-octoxybenzene;1-butoxy-2,3-difluoro-4-pentoxybenzene;2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene
CID 159048658
tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane
CID 22734375
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
CID 171215725
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
1-butoxy-2,3-difluoro-4-octoxybenzene;bis(2,3-difluoro-1-heptoxy-4-propoxybenzene);2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene;1-ethoxy-2,3-difluoro-4-octoxybenzene
CID 158241991
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine;hydrochloride
CID 171235359
tributyl-(2,6-difluoro-4-isocyanophenyl)stannane
CID 140689230
1,2-difluoro-4-methoxybenzene;ethane;pentane
CID 144721710
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664

Frequently Asked Questions

What is the IUPAC name of tributyl-(2,6-difluoro-3-methoxyphenyl)stannane?
The IUPAC name of tributyl-(2,6-difluoro-3-methoxyphenyl)stannane (CID 177422057) is tributyl-(2,6-difluoro-3-methoxyphenyl)stannane.
What is the SMILES notation for tributyl-(2,6-difluoro-3-methoxyphenyl)stannane?
The canonical SMILES for tributyl-(2,6-difluoro-3-methoxyphenyl)stannane is CCCC[Sn](CCCC)(CCCC)c1c(F)ccc(OC)c1F.
What is the InChIKey of tributyl-(2,6-difluoro-3-methoxyphenyl)stannane?
The InChIKey is FULDOVGYZMEBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2O.3C4H9.Sn/c1-10-7-3-2-5(8)4-6(7)9;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2,6-difluoro-3-methoxyphenyl)stannane?
tributyl-(2,6-difluoro-3-methoxyphenyl)stannane has a molecular weight of 433.17 g/mol, XLogP of 6.03, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2,6-difluoro-3-methoxyphenyl)stannane is sourced from PubChem (CID 177422057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).