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

C9H12F3N3O — CID 80579731

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one
SMILESNCC(n1ccn(C2CC2)c1=O)C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7(5-13)15-4-3-14(8(15)16)6-1-2-6/h3-4,6-7H,1-2,5,13H2
InChIKeyFVGSLGJNSJGPGR-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.05
Rot. Bonds3

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

1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one (PubChem CID 80579731) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one
PubChem CID80579731
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one
SMILESNCC(n1ccn(C2CC2)c1=O)C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7(5-13)15-4-3-14(8(15)16)6-1-2-6/h3-4,6-7H,1-2,5,13H2
InChIKeyFVGSLGJNSJGPGR-UHFFFAOYSA-N
XLogP1.05
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one (CID 80579731) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one is NCC(n1ccn(C2CC2)c1=O)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one?
The InChIKey is FVGSLGJNSJGPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)7(5-13)15-4-3-14(8(15)16)6-1-2-6/h3-4,6-7H,1-2,5,13H2.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one?
1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one has a molecular weight of 235.21 g/mol, XLogP of 1.05, 3 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-cyclopropylimidazol-2-one is sourced from PubChem (CID 80579731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).