tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate

C15H17F2NO2 — CID 138979618

IUPACtert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC=Cc2cc(F)c(F)cc21
InChIInChI=1S/C15H17F2NO2/c1-15(2,3)20-14(19)18-13-6-4-5-9-7-11(16)12(17)8-10(9)13/h4-5,7-8,13H,6H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyZYKXILXXAQMVQO-CYBMUJFWSA-N
MW281.30 g/mol
LogP3.95
Rot. Bonds1

About tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate

tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate (PubChem CID 138979618) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate
PubChem CID138979618
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Nametert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC=Cc2cc(F)c(F)cc21
InChIInChI=1S/C15H17F2NO2/c1-15(2,3)20-14(19)18-13-6-4-5-9-7-11(16)12(17)8-10(9)13/h4-5,7-8,13H,6H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyZYKXILXXAQMVQO-CYBMUJFWSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
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tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
(5R)-5-amino-3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;tert-butyl N-[(5R)-3-fluoro-2-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate (CID 138979618) is tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC=Cc2cc(F)c(F)cc21.
What is the InChIKey of tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate?
The InChIKey is ZYKXILXXAQMVQO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17F2NO2/c1-15(2,3)20-14(19)18-13-6-4-5-9-7-11(16)12(17)8-10(9)13/h4-5,7-8,13H,6H2,1-3H3,(H,18,19)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate?
tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate has a molecular weight of 281.30 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-6,7-difluoro-1,2-dihydronaphthalen-1-yl]carbamate is sourced from PubChem (CID 138979618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).