2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine

C10H11BrFN — CID 81014478

IUPAC2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine
SMILESNC1CCC1c1cc(Br)ccc1F
InChIInChI=1S/C10H11BrFN/c11-6-1-3-9(12)8(5-6)7-2-4-10(7)13/h1,3,5,7,10H,2,4,13H2
InChIKeyJBDXSLNHWCKNLA-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.79
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine

2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine (PubChem CID 81014478) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine
PubChem CID81014478
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine
SMILESNC1CCC1c1cc(Br)ccc1F
InChIInChI=1S/C10H11BrFN/c11-6-1-3-9(12)8(5-6)7-2-4-10(7)13/h1,3,5,7,10H,2,4,13H2
InChIKeyJBDXSLNHWCKNLA-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanamine
CID 94556792
3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol
CID 79740139
[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine
CID 81011493
2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine
CID 116962876
2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
CID 81007752
2-(5-bromo-2-fluorophenyl)cycloheptane-1-carboxylic acid
CID 81008326
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
2-(2-bromophenyl)cyclobutan-1-amine
CID 105483632
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane
CID 79373521

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine (CID 81014478) is 2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine is NC1CCC1c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine?
The InChIKey is JBDXSLNHWCKNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-6-1-3-9(12)8(5-6)7-2-4-10(7)13/h1,3,5,7,10H,2,4,13H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine?
2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine has a molecular weight of 244.11 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 81014478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).