tributyl-(2,6-difluoro-4-isocyanophenyl)stannane

C19H29F2NSn — CID 140689230

IUPACtributyl-(2,6-difluoro-4-isocyanophenyl)stannane
SMILES[C-]#[N+]c1cc(F)c([Sn](CCCC)(CCCC)CCCC)c(F)c1
InChIInChI=1S/C7H2F2N.3C4H9.Sn/c1-10-7-3-5(8)2-6(9)4-7;3*1-3-4-2;/h3-4H;3*1,3-4H2,2H3;
InChIKeySEVGBQBCNIPCRA-UHFFFAOYSA-N
MW428.16 g/mol
LogP6.57
Rot. Bonds10

About tributyl-(2,6-difluoro-4-isocyanophenyl)stannane

tributyl-(2,6-difluoro-4-isocyanophenyl)stannane (PubChem CID 140689230) has the molecular formula C19H29F2NSn and a molecular weight of 428.16 g/mol. Its IUPAC name is tributyl-(2,6-difluoro-4-isocyanophenyl)stannane.

Molecular Properties

Compound Nametributyl-(2,6-difluoro-4-isocyanophenyl)stannane
PubChem CID140689230
Molecular FormulaC19H29F2NSn
Molecular Weight428.16 g/mol
Exact Mass429.13
IUPAC Nametributyl-(2,6-difluoro-4-isocyanophenyl)stannane
SMILES[C-]#[N+]c1cc(F)c([Sn](CCCC)(CCCC)CCCC)c(F)c1
InChIInChI=1S/C7H2F2N.3C4H9.Sn/c1-10-7-3-5(8)2-6(9)4-7;3*1-3-4-2;/h3-4H;3*1,3-4H2,2H3;
InChIKeySEVGBQBCNIPCRA-UHFFFAOYSA-N
XLogP6.57
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.16
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl-(4-chloro-2-fluorophenyl)stannane
CID 139884549
(2-bromo-6-fluorophenyl)-tributylstannane
CID 134948471
tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane
CID 86204959
tributyl-(2,6-difluoro-3-methoxyphenyl)stannane
CID 177422057
tributyl-(6-tributylstannylpyrimidin-4-yl)stannane
CID 86280249
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
tributyl-(3-methylsulfanylphenyl)stannane
CID 90487814
tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane
CID 178139829
N-methyl-4-tributylstannylpyridin-2-amine
CID 71270035
N-[(4-isocyanophenyl)methyl]-N-methylbutan-1-amine
CID 21029645
tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane
CID 15738842
tributyl-(2-tributylstannylselenopheno[2,3-f][1]benzoselenol-6-yl)stannane
CID 177471135

Frequently Asked Questions

What is the IUPAC name of tributyl-(2,6-difluoro-4-isocyanophenyl)stannane?
The IUPAC name of tributyl-(2,6-difluoro-4-isocyanophenyl)stannane (CID 140689230) is tributyl-(2,6-difluoro-4-isocyanophenyl)stannane.
What is the SMILES notation for tributyl-(2,6-difluoro-4-isocyanophenyl)stannane?
The canonical SMILES for tributyl-(2,6-difluoro-4-isocyanophenyl)stannane is [C-]#[N+]c1cc(F)c([Sn](CCCC)(CCCC)CCCC)c(F)c1.
What is the InChIKey of tributyl-(2,6-difluoro-4-isocyanophenyl)stannane?
The InChIKey is SEVGBQBCNIPCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F2N.3C4H9.Sn/c1-10-7-3-5(8)2-6(9)4-7;3*1-3-4-2;/h3-4H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2,6-difluoro-4-isocyanophenyl)stannane?
tributyl-(2,6-difluoro-4-isocyanophenyl)stannane has a molecular weight of 428.16 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2,6-difluoro-4-isocyanophenyl)stannane is sourced from PubChem (CID 140689230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).