4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine

C12H12BrClF3NO — CID 122656521

IUPAC4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(Cc2cccc(Br)c2Cl)CCO1
InChIInChI=1S/C12H12BrClF3NO/c13-9-3-1-2-8(11(9)14)6-18-4-5-19-10(7-18)12(15,16)17/h1-3,10H,4-7H2
InChIKeyDFNGLTLOZIITDD-UHFFFAOYSA-N
MW358.59 g/mol
LogP3.87
Rot. Bonds2

About 4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine

4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine (PubChem CID 122656521) has the molecular formula C12H12BrClF3NO and a molecular weight of 358.59 g/mol. Its IUPAC name is 4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine
PubChem CID122656521
Molecular FormulaC12H12BrClF3NO
Molecular Weight358.59 g/mol
Exact Mass356.97
IUPAC Name4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(Cc2cccc(Br)c2Cl)CCO1
InChIInChI=1S/C12H12BrClF3NO/c13-9-3-1-2-8(11(9)14)6-18-4-5-19-10(7-18)12(15,16)17/h1-3,10H,4-7H2
InChIKeyDFNGLTLOZIITDD-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine (CID 122656521) is 4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine is FC(F)(F)C1CN(Cc2cccc(Br)c2Cl)CCO1.
What is the InChIKey of 4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is DFNGLTLOZIITDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClF3NO/c13-9-3-1-2-8(11(9)14)6-18-4-5-19-10(7-18)12(15,16)17/h1-3,10H,4-7H2.
What are the key properties of 4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine?
4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 358.59 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 122656521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).