3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine

C8H12F3N3 — CID 23343256

IUPAC3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine
SMILESCc1nc(CC(N)C(F)(F)F)c(C)[nH]1
InChIInChI=1S/C8H12F3N3/c1-4-6(14-5(2)13-4)3-7(12)8(9,10)11/h7H,3,12H2,1-2H3,(H,13,14)
InChIKeyFJFVKOQCAXLJPD-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.46
Rot. Bonds2

About 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine

3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 23343256) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID23343256
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine
SMILESCc1nc(CC(N)C(F)(F)F)c(C)[nH]1
InChIInChI=1S/C8H12F3N3/c1-4-6(14-5(2)13-4)3-7(12)8(9,10)11/h7H,3,12H2,1-2H3,(H,13,14)
InChIKeyFJFVKOQCAXLJPD-UHFFFAOYSA-N
XLogP1.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine (CID 23343256) is 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine is Cc1nc(CC(N)C(F)(F)F)c(C)[nH]1.
What is the InChIKey of 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is FJFVKOQCAXLJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-4-6(14-5(2)13-4)3-7(12)8(9,10)11/h7H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine?
3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 207.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 23343256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).