3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine

C12H15BrFNO — CID 66352489

IUPAC3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNO/c1-12(2)10(15)6-11(12)16-7-3-4-8(13)9(14)5-7/h3-5,10-11H,6,15H2,1-2H3
InChIKeyLYLDUZNYVZYYFR-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.09
Rot. Bonds2

About 3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine

3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine (PubChem CID 66352489) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine
PubChem CID66352489
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNO/c1-12(2)10(15)6-11(12)16-7-3-4-8(13)9(14)5-7/h3-5,10-11H,6,15H2,1-2H3
InChIKeyLYLDUZNYVZYYFR-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine (CID 66352489) is 3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine is CC1(C)C(N)CC1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is LYLDUZNYVZYYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-12(2)10(15)6-11(12)16-7-3-4-8(13)9(14)5-7/h3-5,10-11H,6,15H2,1-2H3.
What are the key properties of 3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine?
3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 288.16 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenoxy)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66352489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).