tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate

C24H42FNO2Sn — CID 164686881

IUPACtert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)C(NC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C12H15FNO2.3C4H9.Sn/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9;3*1-3-4-2;/h4-8H,1-3H3,(H,14,15);3*1,3-4H2,2H3;
InChIKeyHYHKQLWRSICYOM-UHFFFAOYSA-N
MW514.31 g/mol
LogP7.78
Rot. Bonds12

About tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate

tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate (PubChem CID 164686881) has the molecular formula C24H42FNO2Sn and a molecular weight of 514.31 g/mol. Its IUPAC name is tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate
PubChem CID164686881
Molecular FormulaC24H42FNO2Sn
Molecular Weight514.31 g/mol
Exact Mass515.22
IUPAC Nametert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)C(NC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C12H15FNO2.3C4H9.Sn/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9;3*1-3-4-2;/h4-8H,1-3H3,(H,14,15);3*1,3-4H2,2H3;
InChIKeyHYHKQLWRSICYOM-UHFFFAOYSA-N
XLogP7.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.31
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate?
The IUPAC name of tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate (CID 164686881) is tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate is CCCC[Sn](CCCC)(CCCC)C(NC(=O)OC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate?
The InChIKey is HYHKQLWRSICYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FNO2.3C4H9.Sn/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9;3*1-3-4-2;/h4-8H,1-3H3,(H,14,15);3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate?
tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate has a molecular weight of 514.31 g/mol, XLogP of 7.78, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluorophenyl)-tributylstannylmethyl]carbamate is sourced from PubChem (CID 164686881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).