tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate

C15H18FNO2S — CID 142473047

IUPACtert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc(F)cc2sccc12
InChIInChI=1S/C15H18FNO2S/c1-15(2,3)19-14(18)17-6-4-10-8-11(16)9-13-12(10)5-7-20-13/h5,7-9H,4,6H2,1-3H3,(H,17,18)
InChIKeyPRSNCBUVIQEIGB-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.11
Rot. Bonds3

About tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate

tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate (PubChem CID 142473047) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate
PubChem CID142473047
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Nametert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc(F)cc2sccc12
InChIInChI=1S/C15H18FNO2S/c1-15(2,3)19-14(18)17-6-4-10-8-11(16)9-13-12(10)5-7-20-13/h5,7-9H,4,6H2,1-3H3,(H,17,18)
InChIKeyPRSNCBUVIQEIGB-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(5-fluorobenzo[b]thiophen-3-yl)ethyl)acetamide
CID 53231465
Tert-butyl 4-(6-fluoro-1-benzothiophen-3-yl)piperidine-1-carboxylate
CID 58817767
Ethyl 2-(5-fluorobenzo[b]thiophen-2-yl)ethylcarbamate
CID 66803935
tert-butyl N-[4-(6-fluoro-1-benzothiophen-3-yl)heptan-2-yl]-N-methylcarbamate
CID 71057370
[2-(5-Fluoro-benzo[b]thiophen-3-yl)-ethyl]-carbamic acid ethyl ester
CID 89964025
N-[2-(1-benzothiophen-4-yl)ethyl]-2,2,2-trifluoroacetamide
CID 117785723
Tert-butyl 3-(6-fluoro-1-benzothiophen-3-yl)azetidine-1-carboxylate
CID 135177400
2-(6-Fluoro-1-benzothiophen-4-yl)ethylcarbamic acid
CID 135380973
2-(4-Fluoro-1-benzothiophen-5-yl)ethylcarbamic acid
CID 135381438
2-(7-Fluoro-1-benzothiophen-5-yl)ethylcarbamic acid
CID 135381549
tert-butyl N-[(1R)-1-(6-fluoro-1-benzothiophen-2-yl)ethyl]carbamate
CID 139696810
tert-butyl N-[2-(2-cyano-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethyl]carbamate
CID 142472655

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate (CID 142473047) is tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cc(F)cc2sccc12.
What is the InChIKey of tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate?
The InChIKey is PRSNCBUVIQEIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-15(2,3)19-14(18)17-6-4-10-8-11(16)9-13-12(10)5-7-20-13/h5,7-9H,4,6H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate?
tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-fluoro-1-benzothiophen-4-yl)ethyl]carbamate is sourced from PubChem (CID 142473047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).