3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine

C10H10BrF3N2O — CID 166608882

IUPAC3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine
SMILESNC1(c2cc(Br)cc(OC(F)(F)F)c2)CNC1
InChIInChI=1S/C10H10BrF3N2O/c11-7-1-6(9(15)4-16-5-9)2-8(3-7)17-10(12,13)14/h1-3,16H,4-5,15H2
InChIKeyFTZYBHYWJYCPMB-UHFFFAOYSA-N
MW311.10 g/mol
LogP2.10
Rot. Bonds2

About 3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine

3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine (PubChem CID 166608882) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is 3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine.

Molecular Properties

Compound Name3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine
PubChem CID166608882
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine
SMILESNC1(c2cc(Br)cc(OC(F)(F)F)c2)CNC1
InChIInChI=1S/C10H10BrF3N2O/c11-7-1-6(9(15)4-16-5-9)2-8(3-7)17-10(12,13)14/h1-3,16H,4-5,15H2
InChIKeyFTZYBHYWJYCPMB-UHFFFAOYSA-N
XLogP2.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine?
The IUPAC name of 3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine (CID 166608882) is 3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine.
What is the SMILES notation for 3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine?
The canonical SMILES for 3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine is NC1(c2cc(Br)cc(OC(F)(F)F)c2)CNC1.
What is the InChIKey of 3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine?
The InChIKey is FTZYBHYWJYCPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c11-7-1-6(9(15)4-16-5-9)2-8(3-7)17-10(12,13)14/h1-3,16H,4-5,15H2.
What are the key properties of 3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine?
3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine has a molecular weight of 311.10 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-5-(trifluoromethoxy)phenyl]azetidin-3-amine is sourced from PubChem (CID 166608882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).