(2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine

C9H11BrF3N3O — CID 168952559

IUPAC(2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine
SMILESFC(F)(F)c1cn(C[C@@H]2CNCCO2)c(Br)n1
InChIInChI=1S/C9H11BrF3N3O/c10-8-15-7(9(11,12)13)5-16(8)4-6-3-14-1-2-17-6/h5-6,14H,1-4H2/t6-/m0/s1
InChIKeyVZWRHKVFEQNQNZ-LURJTMIESA-N
MW314.11 g/mol
LogP1.65
Rot. Bonds2

About (2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine

(2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine (PubChem CID 168952559) has the molecular formula C9H11BrF3N3O and a molecular weight of 314.11 g/mol. Its IUPAC name is (2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine
PubChem CID168952559
Molecular FormulaC9H11BrF3N3O
Molecular Weight314.11 g/mol
Exact Mass313.00
IUPAC Name(2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine
SMILESFC(F)(F)c1cn(C[C@@H]2CNCCO2)c(Br)n1
InChIInChI=1S/C9H11BrF3N3O/c10-8-15-7(9(11,12)13)5-16(8)4-6-3-14-1-2-17-6/h5-6,14H,1-4H2/t6-/m0/s1
InChIKeyVZWRHKVFEQNQNZ-LURJTMIESA-N
XLogP1.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine?
The IUPAC name of (2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine (CID 168952559) is (2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine is FC(F)(F)c1cn(C[C@@H]2CNCCO2)c(Br)n1.
What is the InChIKey of (2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine?
The InChIKey is VZWRHKVFEQNQNZ-LURJTMIESA-N. The full InChI is InChI=1S/C9H11BrF3N3O/c10-8-15-7(9(11,12)13)5-16(8)4-6-3-14-1-2-17-6/h5-6,14H,1-4H2/t6-/m0/s1.
What are the key properties of (2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine?
(2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine has a molecular weight of 314.11 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-bromo-4-(trifluoromethyl)imidazol-1-yl]methyl]morpholine is sourced from PubChem (CID 168952559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).