2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole

C6H9F3N2 — CID 146878831

IUPAC2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole
SMILESCC1NC(C(F)(F)F)=CN1C
InChIInChI=1S/C6H9F3N2/c1-4-10-5(3-11(4)2)6(7,8)9/h3-4,10H,1-2H3
InChIKeySRKJJOHNSICKQS-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.27
Rot. Bonds

About 2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole

2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole (PubChem CID 146878831) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole
PubChem CID146878831
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole
SMILESCC1NC(C(F)(F)F)=CN1C
InChIInChI=1S/C6H9F3N2/c1-4-10-5(3-11(4)2)6(7,8)9/h3-4,10H,1-2H3
InChIKeySRKJJOHNSICKQS-UHFFFAOYSA-N
XLogP1.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole?
The IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole (CID 146878831) is 2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole.
What is the SMILES notation for 2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole?
The canonical SMILES for 2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole is CC1NC(C(F)(F)F)=CN1C.
What is the InChIKey of 2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole?
The InChIKey is SRKJJOHNSICKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4-10-5(3-11(4)2)6(7,8)9/h3-4,10H,1-2H3.
What are the key properties of 2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole?
2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole has a molecular weight of 166.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroimidazole is sourced from PubChem (CID 146878831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).