2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine

C11H16F3N3O — CID 114130073

IUPAC2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine
SMILESCC(CC(F)(F)F)n1cncc1C1CNCCO1
InChIInChI=1S/C11H16F3N3O/c1-8(4-11(12,13)14)17-7-16-5-9(17)10-6-15-2-3-18-10/h5,7-8,10,15H,2-4,6H2,1H3
InChIKeyLRAPSMADDDRLQP-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.06
Rot. Bonds3

About 2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine

2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine (PubChem CID 114130073) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine
PubChem CID114130073
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine
SMILESCC(CC(F)(F)F)n1cncc1C1CNCCO1
InChIInChI=1S/C11H16F3N3O/c1-8(4-11(12,13)14)17-7-16-5-9(17)10-6-15-2-3-18-10/h5,7-8,10,15H,2-4,6H2,1H3
InChIKeyLRAPSMADDDRLQP-UHFFFAOYSA-N
XLogP2.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine (CID 114130073) is 2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine is CC(CC(F)(F)F)n1cncc1C1CNCCO1.
What is the InChIKey of 2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine?
The InChIKey is LRAPSMADDDRLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8(4-11(12,13)14)17-7-16-5-9(17)10-6-15-2-3-18-10/h5,7-8,10,15H,2-4,6H2,1H3.
What are the key properties of 2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine?
2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine has a molecular weight of 263.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114130073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).