(5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate

C15H19BrFNO2 — CID 153409901

IUPAC(5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate
SMILESCC(C)(C)C1(OC(N)=O)CCCc2c1ccc(F)c2Br
InChIInChI=1S/C15H19BrFNO2/c1-14(2,3)15(20-13(18)19)8-4-5-9-10(15)6-7-11(17)12(9)16/h6-7H,4-5,8H2,1-3H3,(H2,18,19)
InChIKeyJAGCKJSLHZEHNW-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.26
Rot. Bonds1

About (5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate

(5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate (PubChem CID 153409901) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is (5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate.

Molecular Properties

Compound Name(5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate
PubChem CID153409901
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name(5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate
SMILESCC(C)(C)C1(OC(N)=O)CCCc2c1ccc(F)c2Br
InChIInChI=1S/C15H19BrFNO2/c1-14(2,3)15(20-13(18)19)8-4-5-9-10(15)6-7-11(17)12(9)16/h6-7H,4-5,8H2,1-3H3,(H2,18,19)
InChIKeyJAGCKJSLHZEHNW-UHFFFAOYSA-N
XLogP4.26
TPSA52.32 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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate?
The IUPAC name of (5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate (CID 153409901) is (5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate.
What is the SMILES notation for (5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate?
The canonical SMILES for (5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate is CC(C)(C)C1(OC(N)=O)CCCc2c1ccc(F)c2Br.
What is the InChIKey of (5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate?
The InChIKey is JAGCKJSLHZEHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-14(2,3)15(20-13(18)19)8-4-5-9-10(15)6-7-11(17)12(9)16/h6-7H,4-5,8H2,1-3H3,(H2,18,19).
What are the key properties of (5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate?
(5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate has a molecular weight of 344.22 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-tert-butyl-6-fluoro-3,4-dihydro-2H-naphthalen-1-yl) carbamate is sourced from PubChem (CID 153409901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).