4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine

C13H20F3N3O — CID 56873863

IUPAC4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
SMILESCC(C)Cn1cncc1CN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3N3O/c1-10(2)6-19-9-17-5-11(19)7-18-3-4-20-12(8-18)13(14,15)16/h5,9-10,12H,3-4,6-8H2,1-2H3
InChIKeyNAEVDTWLVJYRQP-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.30
Rot. Bonds4

About 4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine

4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine (PubChem CID 56873863) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
PubChem CID56873863
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
SMILESCC(C)Cn1cncc1CN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3N3O/c1-10(2)6-19-9-17-5-11(19)7-18-3-4-20-12(8-18)13(14,15)16/h5,9-10,12H,3-4,6-8H2,1-2H3
InChIKeyNAEVDTWLVJYRQP-UHFFFAOYSA-N
XLogP2.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine (CID 56873863) is 4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine is CC(C)Cn1cncc1CN1CCOC(C(F)(F)F)C1.
What is the InChIKey of 4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is NAEVDTWLVJYRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-10(2)6-19-9-17-5-11(19)7-18-3-4-20-12(8-18)13(14,15)16/h5,9-10,12H,3-4,6-8H2,1-2H3.
What are the key properties of 4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 291.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56873863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).