2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine

C13H18FNO — CID 82287155

IUPAC2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine
SMILESCC1(C)COC(Cc2ccccc2F)CN1
InChIInChI=1S/C13H18FNO/c1-13(2)9-16-11(8-15-13)7-10-5-3-4-6-12(10)14/h3-6,11,15H,7-9H2,1-2H3
InChIKeyUQIAYVIUOVFMIR-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.14
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine

2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine (PubChem CID 82287155) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine
PubChem CID82287155
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine
SMILESCC1(C)COC(Cc2ccccc2F)CN1
InChIInChI=1S/C13H18FNO/c1-13(2)9-16-11(8-15-13)7-10-5-3-4-6-12(10)14/h3-6,11,15H,7-9H2,1-2H3
InChIKeyUQIAYVIUOVFMIR-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine (CID 82287155) is 2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine is CC1(C)COC(Cc2ccccc2F)CN1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine?
The InChIKey is UQIAYVIUOVFMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(2)9-16-11(8-15-13)7-10-5-3-4-6-12(10)14/h3-6,11,15H,7-9H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine?
2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine has a molecular weight of 223.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine is sourced from PubChem (CID 82287155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).