1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine

C7H12F3N3 — CID 82400636

IUPAC1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine
SMILESCN1CCN=C1CC(N)C(F)(F)F
InChIInChI=1S/C7H12F3N3/c1-13-3-2-12-6(13)4-5(11)7(8,9)10/h5H,2-4,11H2,1H3
InChIKeyFYNJEGFTAICOCF-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.61
Rot. Bonds2

About 1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine

1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine (PubChem CID 82400636) has the molecular formula C7H12F3N3 and a molecular weight of 195.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine
PubChem CID82400636
Molecular FormulaC7H12F3N3
Molecular Weight195.19 g/mol
Exact Mass195.10
IUPAC Name1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine
SMILESCN1CCN=C1CC(N)C(F)(F)F
InChIInChI=1S/C7H12F3N3/c1-13-3-2-12-6(13)4-5(11)7(8,9)10/h5H,2-4,11H2,1H3
InChIKeyFYNJEGFTAICOCF-UHFFFAOYSA-N
XLogP0.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine (CID 82400636) is 1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine is CN1CCN=C1CC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine?
The InChIKey is FYNJEGFTAICOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3/c1-13-3-2-12-6(13)4-5(11)7(8,9)10/h5H,2-4,11H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine?
1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine has a molecular weight of 195.19 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 82400636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).