methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole

C9H16F3N3 — CID 177004636

IUPACmethanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCN.Cc1nc(C(F)(F)F)cn1C(C)C
InChIInChI=1S/C8H11F3N2.CH5N/c1-5(2)13-4-7(8(9,10)11)12-6(13)3;1-2/h4-5H,1-3H3;2H2,1H3
InChIKeyHGHJLVMBHIKWPT-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.37
Rot. Bonds1

About methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole

methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole (PubChem CID 177004636) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Namemethanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
PubChem CID177004636
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Namemethanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCN.Cc1nc(C(F)(F)F)cn1C(C)C
InChIInChI=1S/C8H11F3N2.CH5N/c1-5(2)13-4-7(8(9,10)11)12-6(13)3;1-2/h4-5H,1-3H3;2H2,1H3
InChIKeyHGHJLVMBHIKWPT-UHFFFAOYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The IUPAC name of methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole (CID 177004636) is methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The canonical SMILES for methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole is CN.Cc1nc(C(F)(F)F)cn1C(C)C.
What is the InChIKey of methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The InChIKey is HGHJLVMBHIKWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2.CH5N/c1-5(2)13-4-7(8(9,10)11)12-6(13)3;1-2/h4-5H,1-3H3;2H2,1H3.
What are the key properties of methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole has a molecular weight of 223.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 177004636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).