N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine

C13H13BrFN — CID 65437109

IUPACN-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFc1cc(NC2CC3CC=CC32)ccc1Br
InChIInChI=1S/C13H13BrFN/c14-11-5-4-9(7-12(11)15)16-13-6-8-2-1-3-10(8)13/h1,3-5,7-8,10,13,16H,2,6H2
InChIKeyDXWJRXYBRGOKPE-UHFFFAOYSA-N
MW282.16 g/mol
LogP3.96
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 65437109) has the molecular formula C13H13BrFN and a molecular weight of 282.16 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID65437109
Molecular FormulaC13H13BrFN
Molecular Weight282.16 g/mol
Exact Mass281.02
IUPAC NameN-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFc1cc(NC2CC3CC=CC32)ccc1Br
InChIInChI=1S/C13H13BrFN/c14-11-5-4-9(7-12(11)15)16-13-6-8-2-1-3-10(8)13/h1,3-5,7-8,10,13,16H,2,6H2
InChIKeyDXWJRXYBRGOKPE-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 107632980
N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43762853
N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine
CID 60943145
N-(3-methylsulfanylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43757292
N-(4-bromo-2,3-dichlorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 114001599
N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43760539
4-bromo-N-cyclopropyl-3-fluoroaniline
CID 103439274
5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide
CID 43784525
N-(6-bicyclo[3.2.0]hept-3-enyl)-1H-indazol-6-amine
CID 43790623
N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 65435866
N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide
CID 43790084
N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43781718

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 65437109) is N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine is Fc1cc(NC2CC3CC=CC32)ccc1Br.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is DXWJRXYBRGOKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN/c14-11-5-4-9(7-12(11)15)16-13-6-8-2-1-3-10(8)13/h1,3-5,7-8,10,13,16H,2,6H2.
What are the key properties of N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 282.16 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 65437109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).