6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine

C13H18FNO — CID 65127307

IUPAC6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine
SMILESCc1ccc(C2CNCC(C)(C)O2)cc1F
InChIInChI=1S/C13H18FNO/c1-9-4-5-10(6-11(9)14)12-7-15-8-13(2,3)16-12/h4-6,12,15H,7-8H2,1-3H3
InChIKeyFNVFXJLHTSSHBJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.57
Rot. Bonds1

About 6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine

6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine (PubChem CID 65127307) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine
PubChem CID65127307
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine
SMILESCc1ccc(C2CNCC(C)(C)O2)cc1F
InChIInChI=1S/C13H18FNO/c1-9-4-5-10(6-11(9)14)12-7-15-8-13(2,3)16-12/h4-6,12,15H,7-8H2,1-3H3
InChIKeyFNVFXJLHTSSHBJ-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine (CID 65127307) is 6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine is Cc1ccc(C2CNCC(C)(C)O2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine?
The InChIKey is FNVFXJLHTSSHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-4-5-10(6-11(9)14)12-7-15-8-13(2,3)16-12/h4-6,12,15H,7-8H2,1-3H3.
What are the key properties of 6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine?
6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine has a molecular weight of 223.29 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 65127307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).