4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine

C9H15BrF3NO — CID 64757332

IUPAC4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine
SMILESCC1CN(CC(Br)C(F)(F)F)CC(C)O1
InChIInChI=1S/C9H15BrF3NO/c1-6-3-14(4-7(2)15-6)5-8(10)9(11,12)13/h6-8H,3-5H2,1-2H3
InChIKeyVQIWOJZKPHHYQZ-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.42
Rot. Bonds2

About 4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine

4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine (PubChem CID 64757332) has the molecular formula C9H15BrF3NO and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine
PubChem CID64757332
Molecular FormulaC9H15BrF3NO
Molecular Weight290.12 g/mol
Exact Mass289.03
IUPAC Name4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine
SMILESCC1CN(CC(Br)C(F)(F)F)CC(C)O1
InChIInChI=1S/C9H15BrF3NO/c1-6-3-14(4-7(2)15-6)5-8(10)9(11,12)13/h6-8H,3-5H2,1-2H3
InChIKeyVQIWOJZKPHHYQZ-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine (CID 64757332) is 4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine is CC1CN(CC(Br)C(F)(F)F)CC(C)O1.
What is the InChIKey of 4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine?
The InChIKey is VQIWOJZKPHHYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF3NO/c1-6-3-14(4-7(2)15-6)5-8(10)9(11,12)13/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine?
4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine has a molecular weight of 290.12 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 64757332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).