(1-bromo-6-fluoronaphthalen-2-yl) carbamate

C11H7BrFNO2 — CID 172723939

IUPAC(1-bromo-6-fluoronaphthalen-2-yl) carbamate
SMILESNC(=O)Oc1ccc2cc(F)ccc2c1Br
InChIInChI=1S/C11H7BrFNO2/c12-10-8-3-2-7(13)5-6(8)1-4-9(10)16-11(14)15/h1-5H,(H2,14,15)
InChIKeyGWTWLYDJHWVUJN-UHFFFAOYSA-N
MW284.08 g/mol
LogP3.20
Rot. Bonds1

About (1-bromo-6-fluoronaphthalen-2-yl) carbamate

(1-bromo-6-fluoronaphthalen-2-yl) carbamate (PubChem CID 172723939) has the molecular formula C11H7BrFNO2 and a molecular weight of 284.08 g/mol. Its IUPAC name is (1-bromo-6-fluoronaphthalen-2-yl) carbamate.

Molecular Properties

Compound Name(1-bromo-6-fluoronaphthalen-2-yl) carbamate
PubChem CID172723939
Molecular FormulaC11H7BrFNO2
Molecular Weight284.08 g/mol
Exact Mass282.96
IUPAC Name(1-bromo-6-fluoronaphthalen-2-yl) carbamate
SMILESNC(=O)Oc1ccc2cc(F)ccc2c1Br
InChIInChI=1S/C11H7BrFNO2/c12-10-8-3-2-7(13)5-6(8)1-4-9(10)16-11(14)15/h1-5H,(H2,14,15)
InChIKeyGWTWLYDJHWVUJN-UHFFFAOYSA-N
XLogP3.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-1-bromonaphthalen-2-yl) carbamate
CID 172817145
[2-(bromomethyl)-4-fluorophenyl] carbamate
CID 152652489
[2-(2-bromoethyl)-5-fluorophenyl] carbamate
CID 174456451
(2-benzyl-4-fluorophenyl) carbamate
CID 150789163
(4-methoxyphenyl) 2-(1,6-dibromonaphthalen-2-yl)oxyacetate
CID 3454697
(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate
CID 7918561
bis(2-bromo-4-fluorophenyl) benzene-1,4-dicarboxylate
CID 91742491
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7642313
(2-bromo-4-fluorophenyl) butanoate
CID 537734
(2-bromo-5-fluorophenyl)methyl carbamate
CID 150503608
6-fluoro-1-methylnaphthalene-2-carboxylic acid
CID 115023270
1,6-difluoronaphthalen-2-amine
CID 115015312

Frequently Asked Questions

What is the IUPAC name of (1-bromo-6-fluoronaphthalen-2-yl) carbamate?
The IUPAC name of (1-bromo-6-fluoronaphthalen-2-yl) carbamate (CID 172723939) is (1-bromo-6-fluoronaphthalen-2-yl) carbamate.
What is the SMILES notation for (1-bromo-6-fluoronaphthalen-2-yl) carbamate?
The canonical SMILES for (1-bromo-6-fluoronaphthalen-2-yl) carbamate is NC(=O)Oc1ccc2cc(F)ccc2c1Br.
What is the InChIKey of (1-bromo-6-fluoronaphthalen-2-yl) carbamate?
The InChIKey is GWTWLYDJHWVUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2/c12-10-8-3-2-7(13)5-6(8)1-4-9(10)16-11(14)15/h1-5H,(H2,14,15).
What are the key properties of (1-bromo-6-fluoronaphthalen-2-yl) carbamate?
(1-bromo-6-fluoronaphthalen-2-yl) carbamate has a molecular weight of 284.08 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-6-fluoronaphthalen-2-yl) carbamate is sourced from PubChem (CID 172723939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).