1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one

C8H12F3N3O — CID 103366627

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one
SMILESCn1ccn(CC(CN)C(F)(F)F)c1=O
InChIInChI=1S/C8H12F3N3O/c1-13-2-3-14(7(13)15)5-6(4-12)8(9,10)11/h2-3,6H,4-5,12H2,1H3
InChIKeyCSHMHCUTEVURNB-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.32
Rot. Bonds3

About 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one (PubChem CID 103366627) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one
PubChem CID103366627
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one
SMILESCn1ccn(CC(CN)C(F)(F)F)c1=O
InChIInChI=1S/C8H12F3N3O/c1-13-2-3-14(7(13)15)5-6(4-12)8(9,10)11/h2-3,6H,4-5,12H2,1H3
InChIKeyCSHMHCUTEVURNB-UHFFFAOYSA-N
XLogP0.32
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one
CID 80578953
3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one
CID 103124913
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-ethylimidazol-2-one
CID 103366626
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one
CID 103366628
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one
CID 103366629
2-[(3-Ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368979
3,3,3-Trifluoro-2-[(3-methyl-2-oxoimidazol-1-yl)methyl]propanethioamide
CID 103368980
3,3,3-Trifluoro-2-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]propanethioamide
CID 103368981
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-propan-2-ylimidazol-2-one
CID 113807414
3,3,3-Trifluoro-2-[(2-oxo-3-propylimidazol-1-yl)methyl]propanethioamide
CID 113807888
1-Ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one
CID 116624294
1-Propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
CID 116624667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one (CID 103366627) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one is Cn1ccn(CC(CN)C(F)(F)F)c1=O.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one?
The InChIKey is CSHMHCUTEVURNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-13-2-3-14(7(13)15)5-6(4-12)8(9,10)11/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one has a molecular weight of 223.20 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one is sourced from PubChem (CID 103366627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).