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

C15H19BrFNO2 — CID 124560791

IUPACtert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cc(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)/t11-/m1/s1
InChIKeyKFOKTCZPSOYAKB-LLVKDONJSA-N
MW344.22 g/mol
LogP3.97
Rot. Bonds1

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

tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (PubChem CID 124560791) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
PubChem CID124560791
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Nametert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cc(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)/t11-/m1/s1
InChIKeyKFOKTCZPSOYAKB-LLVKDONJSA-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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Related Compounds

tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 66679493
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 67920486
tert-butyl 6-bromo-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589285
2-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 22182086
tert-butyl N-[(3S)-1-(5-bromo-2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]carbamate
CID 166174761
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
tert-butyl N-[3-(2-bromo-4,6-difluoroanilino)cyclohexyl]carbamate
CID 113247870
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924
tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate
CID 86643888
tert-butyl N-[(3R)-1-[(4-bromo-5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]carbamate
CID 173262621

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (CID 124560791) is tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCc2cc(F)c(Br)cc2C1.
What is the InChIKey of tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The InChIKey is KFOKTCZPSOYAKB-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
tert-butyl N-[(2R)-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-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is sourced from PubChem (CID 124560791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).