tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

C15H19BrFNO2 — CID 66679493

IUPACtert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2cc(F)c(Br)cc2C1
InChIInChI=1S/C15H19BrFNO2/c1-15(2,3)20-14(19)18-11-5-4-9-8-13(17)12(16)7-10(9)6-11/h7-8,11H,4-6H2,1-3H3,(H,18,19)
InChIKeyKFOKTCZPSOYAKB-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.97
Rot. Bonds1

About tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (PubChem CID 66679493) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
PubChem CID66679493
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Nametert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2cc(F)c(Br)cc2C1
InChIInChI=1S/C15H19BrFNO2/c1-15(2,3)20-14(19)18-11-5-4-9-8-13(17)12(16)7-10(9)6-11/h7-8,11H,4-6H2,1-3H3,(H,18,19)
InChIKeyKFOKTCZPSOYAKB-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The IUPAC name of tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (CID 66679493) is tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2cc(F)c(Br)cc2C1.
What is the InChIKey of tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The InChIKey is KFOKTCZPSOYAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-15(2,3)20-14(19)18-11-5-4-9-8-13(17)12(16)7-10(9)6-11/h7-8,11H,4-6H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate has a molecular weight of 344.22 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is sourced from PubChem (CID 66679493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).