3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine

C11H10BrClF3N — CID 156565968

IUPAC3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine
SMILESFC(F)(F)CN1CC(c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C11H10BrClF3N/c12-8-1-2-9(10(13)3-8)7-4-17(5-7)6-11(14,15)16/h1-3,7H,4-6H2
InChIKeyRJRUNLFVZPJHJR-UHFFFAOYSA-N
MW328.56 g/mol
LogP4.06
Rot. Bonds2

About 3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine

3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine (PubChem CID 156565968) has the molecular formula C11H10BrClF3N and a molecular weight of 328.56 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine
PubChem CID156565968
Molecular FormulaC11H10BrClF3N
Molecular Weight328.56 g/mol
Exact Mass326.96
IUPAC Name3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine
SMILESFC(F)(F)CN1CC(c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C11H10BrClF3N/c12-8-1-2-9(10(13)3-8)7-4-17(5-7)6-11(14,15)16/h1-3,7H,4-6H2
InChIKeyRJRUNLFVZPJHJR-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.56
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine?
The IUPAC name of 3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine (CID 156565968) is 3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine.
What is the SMILES notation for 3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine?
The canonical SMILES for 3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine is FC(F)(F)CN1CC(c2ccc(Br)cc2Cl)C1.
What is the InChIKey of 3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine?
The InChIKey is RJRUNLFVZPJHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3N/c12-8-1-2-9(10(13)3-8)7-4-17(5-7)6-11(14,15)16/h1-3,7H,4-6H2.
What are the key properties of 3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine?
3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine has a molecular weight of 328.56 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenyl)-1-(2,2,2-trifluoroethyl)azetidine is sourced from PubChem (CID 156565968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).