1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine

C10H11BrFN — CID 117361711

IUPAC1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine
SMILESNC1(c2cccc(Br)c2F)CCC1
InChIInChI=1S/C10H11BrFN/c11-8-4-1-3-7(9(8)12)10(13)5-2-6-10/h1,3-4H,2,5-6,13H2
InChIKeyXBCZKTWZQZACCE-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.93
Rot. Bonds1

About 1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine

1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine (PubChem CID 117361711) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine
PubChem CID117361711
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine
SMILESNC1(c2cccc(Br)c2F)CCC1
InChIInChI=1S/C10H11BrFN/c11-8-4-1-3-7(9(8)12)10(13)5-2-6-10/h1,3-4H,2,5-6,13H2
InChIKeyXBCZKTWZQZACCE-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine (CID 117361711) is 1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine is NC1(c2cccc(Br)c2F)CCC1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine?
The InChIKey is XBCZKTWZQZACCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-8-4-1-3-7(9(8)12)10(13)5-2-6-10/h1,3-4H,2,5-6,13H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine?
1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine has a molecular weight of 244.11 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 117361711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).