3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

C12H13BrF3N — CID 43632465

IUPAC3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESFC(F)(F)CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H13BrF3N/c13-10-3-1-8(2-4-10)9-5-11(6-9)17-7-12(14,15)16/h1-4,9,11,17H,5-7H2
InChIKeyUZCIVYCOOHVJOT-UHFFFAOYSA-N
MW308.14 g/mol
LogP3.85
Rot. Bonds3

About 3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (PubChem CID 43632465) has the molecular formula C12H13BrF3N and a molecular weight of 308.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
PubChem CID43632465
Molecular FormulaC12H13BrF3N
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Name3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESFC(F)(F)CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H13BrF3N/c13-10-3-1-8(2-4-10)9-5-11(6-9)17-7-12(14,15)16/h1-4,9,11,17H,5-7H2
InChIKeyUZCIVYCOOHVJOT-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (CID 43632465) is 3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is FC(F)(F)CNC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The InChIKey is UZCIVYCOOHVJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N/c13-10-3-1-8(2-4-10)9-5-11(6-9)17-7-12(14,15)16/h1-4,9,11,17H,5-7H2.
What are the key properties of 3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine has a molecular weight of 308.14 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is sourced from PubChem (CID 43632465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).