6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine

C14H24BrF2NO — CID 114225213

IUPAC6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(CC2CCCC(F)(F)C2)CC(CBr)O1
InChIInChI=1S/C14H24BrF2NO/c1-13(2)10-18(9-12(7-15)19-13)8-11-4-3-5-14(16,17)6-11/h11-12H,3-10H2,1-2H3
InChIKeyJHMBSFZQTJRYFP-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.69
Rot. Bonds3

About 6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine

6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine (PubChem CID 114225213) has the molecular formula C14H24BrF2NO and a molecular weight of 340.25 g/mol. Its IUPAC name is 6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine
PubChem CID114225213
Molecular FormulaC14H24BrF2NO
Molecular Weight340.25 g/mol
Exact Mass339.10
IUPAC Name6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(CC2CCCC(F)(F)C2)CC(CBr)O1
InChIInChI=1S/C14H24BrF2NO/c1-13(2)10-18(9-12(7-15)19-13)8-11-4-3-5-14(16,17)6-11/h11-12H,3-10H2,1-2H3
InChIKeyJHMBSFZQTJRYFP-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.69
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-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine (CID 114225213) is 6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine is CC1(C)CN(CC2CCCC(F)(F)C2)CC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine?
The InChIKey is JHMBSFZQTJRYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrF2NO/c1-13(2)10-18(9-12(7-15)19-13)8-11-4-3-5-14(16,17)6-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine?
6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine has a molecular weight of 340.25 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-[(3,3-difluorocyclohexyl)methyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 114225213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).