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

C10H17BrF3NO — CID 64758770

IUPAC4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine
SMILESCC1CN(CC(Br)C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C10H17BrF3NO/c1-7-4-15(6-9(2,3)16-7)5-8(11)10(12,13)14/h7-8H,4-6H2,1-3H3
InChIKeyKGWJZOBXKNGYRY-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.81
Rot. Bonds2

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

4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine (PubChem CID 64758770) has the molecular formula C10H17BrF3NO and a molecular weight of 304.15 g/mol. Its IUPAC name is 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine
PubChem CID64758770
Molecular FormulaC10H17BrF3NO
Molecular Weight304.15 g/mol
Exact Mass303.04
IUPAC Name4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine
SMILESCC1CN(CC(Br)C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C10H17BrF3NO/c1-7-4-15(6-9(2,3)16-7)5-8(11)10(12,13)14/h7-8H,4-6H2,1-3H3
InChIKeyKGWJZOBXKNGYRY-UHFFFAOYSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.81
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)-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine (CID 64758770) is 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine is CC1CN(CC(Br)C(F)(F)F)CC(C)(C)O1.
What is the InChIKey of 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine?
The InChIKey is KGWJZOBXKNGYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO/c1-7-4-15(6-9(2,3)16-7)5-8(11)10(12,13)14/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine?
4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine has a molecular weight of 304.15 g/mol, XLogP of 2.81, 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)-2,2,6-trimethylmorpholine is sourced from PubChem (CID 64758770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).