4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine

C13H13F6NO — CID 118084323

IUPAC4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine
SMILESCc1cc(N2CCOC(C(F)(F)F)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F6NO/c1-8-4-9(12(14,15)16)6-10(5-8)20-2-3-21-11(7-20)13(17,18)19/h4-6,11H,2-3,7H2,1H3
InChIKeyHRAKOKTUFIXOCE-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.78
Rot. Bonds1

About 4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine

4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine (PubChem CID 118084323) has the molecular formula C13H13F6NO and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine
PubChem CID118084323
Molecular FormulaC13H13F6NO
Molecular Weight313.24 g/mol
Exact Mass313.09
IUPAC Name4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine
SMILESCc1cc(N2CCOC(C(F)(F)F)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F6NO/c1-8-4-9(12(14,15)16)6-10(5-8)20-2-3-21-11(7-20)13(17,18)19/h4-6,11H,2-3,7H2,1H3
InChIKeyHRAKOKTUFIXOCE-UHFFFAOYSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine (CID 118084323) is 4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine is Cc1cc(N2CCOC(C(F)(F)F)C2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine?
The InChIKey is HRAKOKTUFIXOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO/c1-8-4-9(12(14,15)16)6-10(5-8)20-2-3-21-11(7-20)13(17,18)19/h4-6,11H,2-3,7H2,1H3.
What are the key properties of 4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine?
4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine has a molecular weight of 313.24 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 118084323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).