4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine

C12H22FNO — CID 175952936

IUPAC4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine
SMILESCC1CCCC(C)C1N1CCOCC1F
InChIInChI=1S/C12H22FNO/c1-9-4-3-5-10(2)12(9)14-6-7-15-8-11(14)13/h9-12H,3-8H2,1-2H3
InChIKeyOITFNSMDOQMKGM-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.44
Rot. Bonds1

About 4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine

4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine (PubChem CID 175952936) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine.

Molecular Properties

Compound Name4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine
PubChem CID175952936
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine
SMILESCC1CCCC(C)C1N1CCOCC1F
InChIInChI=1S/C12H22FNO/c1-9-4-3-5-10(2)12(9)14-6-7-15-8-11(14)13/h9-12H,3-8H2,1-2H3
InChIKeyOITFNSMDOQMKGM-UHFFFAOYSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine?
The IUPAC name of 4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine (CID 175952936) is 4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine.
What is the SMILES notation for 4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine?
The canonical SMILES for 4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine is CC1CCCC(C)C1N1CCOCC1F.
What is the InChIKey of 4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine?
The InChIKey is OITFNSMDOQMKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-9-4-3-5-10(2)12(9)14-6-7-15-8-11(14)13/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine?
4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine has a molecular weight of 215.31 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylcyclohexyl)-3-fluoromorpholine is sourced from PubChem (CID 175952936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).