6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine

C10H19BrFNO — CID 114780804

IUPAC6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCCF)CC(CBr)O1
InChIInChI=1S/C10H19BrFNO/c1-10(2)8-13(5-3-4-12)7-9(6-11)14-10/h9H,3-8H2,1-2H3
InChIKeyOBEMSOABDUIYQK-UHFFFAOYSA-N
MW268.17 g/mol
LogP2.22
Rot. Bonds4

About 6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine

6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine (PubChem CID 114780804) has the molecular formula C10H19BrFNO and a molecular weight of 268.17 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine
PubChem CID114780804
Molecular FormulaC10H19BrFNO
Molecular Weight268.17 g/mol
Exact Mass267.06
IUPAC Name6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCCF)CC(CBr)O1
InChIInChI=1S/C10H19BrFNO/c1-10(2)8-13(5-3-4-12)7-9(6-11)14-10/h9H,3-8H2,1-2H3
InChIKeyOBEMSOABDUIYQK-UHFFFAOYSA-N
XLogP2.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Bromoethyl)-2,6-dimethylmorpholine hydrobromide
CID 121553218
4-(3-Bromo-2-methylpropyl)morpholine hydrobromide
CID 132327508
4-(2-Bromoethyl)-2,2,3-trimethylmorpholine
CID 155822238
2-(Bromomethyl)-4-methylmorpholine
CID 70291410
4-(2-Bromoethyl)-2,6-dimethylmorpholine
CID 53417644
4-(2-Bromo-3,3,3-trifluoropropyl)-2,2-dimethylmorpholine
CID 64757145
4-(2-Bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine
CID 64757332
4-(2-Bromo-3,3,3-trifluoropropyl)-2-methylmorpholine
CID 64757526
4-(2-Bromo-3,3,3-trifluoropropyl)-2,2,6-trimethylmorpholine
CID 64758770
2-(Bromomethyl)-4-(3-fluoropropyl)-5-methylmorpholine
CID 81209696
2-(Bromomethyl)-4-(2-fluoroethyl)-5-methylmorpholine
CID 81209711
2-(Bromomethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine
CID 81209918

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine (CID 114780804) is 6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine is CC1(C)CN(CCCF)CC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine?
The InChIKey is OBEMSOABDUIYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrFNO/c1-10(2)8-13(5-3-4-12)7-9(6-11)14-10/h9H,3-8H2,1-2H3.
What are the key properties of 6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine?
6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine has a molecular weight of 268.17 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114780804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).