6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine

C9H17BrFNO — CID 114780637

IUPAC6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCF)CC(CBr)O1
InChIInChI=1S/C9H17BrFNO/c1-9(2)7-12(4-3-11)6-8(5-10)13-9/h8H,3-7H2,1-2H3
InChIKeyPTBRZMLZLCFVOB-UHFFFAOYSA-N
MW254.14 g/mol
LogP1.83
Rot. Bonds3

About 6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine

6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine (PubChem CID 114780637) has the molecular formula C9H17BrFNO and a molecular weight of 254.14 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine
PubChem CID114780637
Molecular FormulaC9H17BrFNO
Molecular Weight254.14 g/mol
Exact Mass253.05
IUPAC Name6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCF)CC(CBr)O1
InChIInChI=1S/C9H17BrFNO/c1-9(2)7-12(4-3-11)6-8(5-10)13-9/h8H,3-7H2,1-2H3
InChIKeyPTBRZMLZLCFVOB-UHFFFAOYSA-N
XLogP1.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 51.83
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 6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine (CID 114780637) is 6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine is CC1(C)CN(CCF)CC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine?
The InChIKey is PTBRZMLZLCFVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrFNO/c1-9(2)7-12(4-3-11)6-8(5-10)13-9/h8H,3-7H2,1-2H3.
What are the key properties of 6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine?
6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine has a molecular weight of 254.14 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114780637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).