1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one

C7H10F3N3O — CID 80579013

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one
SMILESCn1ccn(C(CN)C(F)(F)F)c1=O
InChIInChI=1S/C7H10F3N3O/c1-12-2-3-13(6(12)14)5(4-11)7(8,9)10/h2-3,5H,4,11H2,1H3
InChIKeyYQYIFNHXPKPUDJ-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.25
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one

1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one (PubChem CID 80579013) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one
PubChem CID80579013
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one
SMILESCn1ccn(C(CN)C(F)(F)F)c1=O
InChIInChI=1S/C7H10F3N3O/c1-12-2-3-13(6(12)14)5(4-11)7(8,9)10/h2-3,5H,4,11H2,1H3
InChIKeyYQYIFNHXPKPUDJ-UHFFFAOYSA-N
XLogP0.25
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-ethylimidazol-2-one
CID 80578792
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one
CID 80578953
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-propan-2-ylimidazol-2-one
CID 80579557
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one
CID 80579731
1-Propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582357
1-Propan-2-yl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582363
1-Methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582401
1-Ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582421
1-Cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582779
3-(4,4,4-trifluorobutan-2-yl)-1H-imidazol-2-one
CID 105928736
1-Propan-2-yl-3-(2,2,2-trifluoroethyl)imidazol-2-one
CID 116624966
1-(Difluoromethyl)-3-propan-2-ylimidazol-2-one
CID 116625064

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one (CID 80579013) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one is Cn1ccn(C(CN)C(F)(F)F)c1=O.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one?
The InChIKey is YQYIFNHXPKPUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-12-2-3-13(6(12)14)5(4-11)7(8,9)10/h2-3,5H,4,11H2,1H3.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one?
1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one has a molecular weight of 209.17 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one is sourced from PubChem (CID 80579013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).