6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine

C13H15F4NO — CID 115351325

IUPAC6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine
SMILESCC1NCC(c2cc(F)cc(C(F)(F)F)c2)OC1C
InChIInChI=1S/C13H15F4NO/c1-7-8(2)19-12(6-18-7)9-3-10(13(15,16)17)5-11(14)4-9/h3-5,7-8,12,18H,6H2,1-2H3
InChIKeyKAKPXUJBOBFNHJ-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.28
Rot. Bonds1

About 6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine

6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine (PubChem CID 115351325) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine.

Molecular Properties

Compound Name6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine
PubChem CID115351325
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine
SMILESCC1NCC(c2cc(F)cc(C(F)(F)F)c2)OC1C
InChIInChI=1S/C13H15F4NO/c1-7-8(2)19-12(6-18-7)9-3-10(13(15,16)17)5-11(14)4-9/h3-5,7-8,12,18H,6H2,1-2H3
InChIKeyKAKPXUJBOBFNHJ-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine?
The IUPAC name of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine (CID 115351325) is 6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine.
What is the SMILES notation for 6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine?
The canonical SMILES for 6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine is CC1NCC(c2cc(F)cc(C(F)(F)F)c2)OC1C.
What is the InChIKey of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine?
The InChIKey is KAKPXUJBOBFNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-7-8(2)19-12(6-18-7)9-3-10(13(15,16)17)5-11(14)4-9/h3-5,7-8,12,18H,6H2,1-2H3.
What are the key properties of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine?
6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine has a molecular weight of 277.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dimethylmorpholine is sourced from PubChem (CID 115351325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).