4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine

C11H11BrF3NO — CID 71651874

IUPAC4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1c(Br)cccc1N1CCOCC1
InChIInChI=1S/C11H11BrF3NO/c12-8-2-1-3-9(10(8)11(13,14)15)16-4-6-17-7-5-16/h1-3H,4-7H2
InChIKeyHHAYALWPZVXQTI-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.30
Rot. Bonds1

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

4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine (PubChem CID 71651874) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is 4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine
PubChem CID71651874
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1c(Br)cccc1N1CCOCC1
InChIInChI=1S/C11H11BrF3NO/c12-8-2-1-3-9(10(8)11(13,14)15)16-4-6-17-7-5-16/h1-3H,4-7H2
InChIKeyHHAYALWPZVXQTI-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.30
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-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine (CID 71651874) is 4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine is FC(F)(F)c1c(Br)cccc1N1CCOCC1.
What is the InChIKey of 4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine?
The InChIKey is HHAYALWPZVXQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c12-8-2-1-3-9(10(8)11(13,14)15)16-4-6-17-7-5-16/h1-3H,4-7H2.
What are the key properties of 4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine?
4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine has a molecular weight of 310.11 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-2-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 71651874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).