2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine

C16H21FN4O — CID 126824753

IUPAC2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CC(c3cccc(F)c3)OCC2(C)C)nn1
InChIInChI=1S/C16H21FN4O/c1-16(2)11-22-15(12-5-4-6-13(17)7-12)10-21(16)9-14-8-20(3)19-18-14/h4-8,15H,9-11H2,1-3H3
InChIKeyGTOVUQQTZQGZMN-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.31
Rot. Bonds3

About 2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine

2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine (PubChem CID 126824753) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine
PubChem CID126824753
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CC(c3cccc(F)c3)OCC2(C)C)nn1
InChIInChI=1S/C16H21FN4O/c1-16(2)11-22-15(12-5-4-6-13(17)7-12)10-21(16)9-14-8-20(3)19-18-14/h4-8,15H,9-11H2,1-3H3
InChIKeyGTOVUQQTZQGZMN-UHFFFAOYSA-N
XLogP2.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine?
The IUPAC name of 2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine (CID 126824753) is 2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine is Cn1cc(CN2CC(c3cccc(F)c3)OCC2(C)C)nn1.
What is the InChIKey of 2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine?
The InChIKey is GTOVUQQTZQGZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-16(2)11-22-15(12-5-4-6-13(17)7-12)10-21(16)9-14-8-20(3)19-18-14/h4-8,15H,9-11H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine?
2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine has a molecular weight of 304.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5,5-dimethyl-4-[(1-methyltriazol-4-yl)methyl]morpholine is sourced from PubChem (CID 126824753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).