1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one

C8H11F3N2O — CID 116624667

IUPAC1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
SMILESCCCn1ccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H11F3N2O/c1-2-3-12-4-5-13(7(12)14)6-8(9,10)11/h4-5H,2-3,6H2,1H3
InChIKeyHBDNYGDUCFQBBX-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.62
Rot. Bonds3

About 1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one

1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one (PubChem CID 116624667) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one.

Molecular Properties

Compound Name1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
PubChem CID116624667
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
SMILESCCCn1ccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H11F3N2O/c1-2-3-12-4-5-13(7(12)14)6-8(9,10)11/h4-5H,2-3,6H2,1H3
InChIKeyHBDNYGDUCFQBBX-UHFFFAOYSA-N
XLogP1.62
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butyl-3-methyl-1H-imidazol-2(3H)-one
CID 45088397
1,3-Dibutylimidazol-2-one
CID 152141803
1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
CID 66952484
1,3-Dibutyl-4-fluoroimidazol-2-one
CID 151172496
2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
CID 162583401
1-Tert-butyl-3-(difluoromethyl)imidazol-2-one
CID 167333407
Trifluoro-[(2-oxo-3-propylimidazol-1-yl)methyl]boranuide
CID 80582844
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-ethylimidazol-2-one
CID 103366626
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one
CID 103366627
2-[(3-Ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368176
3,3,3-Trifluoro-2-[(3-methyl-2-oxoimidazol-1-yl)methyl]propanenitrile
CID 103368177
3,3,3-Trifluoro-2-[(2-oxo-3-propylimidazol-1-yl)methyl]propanenitrile
CID 103368178

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one?
The IUPAC name of 1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one (CID 116624667) is 1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one.
What is the SMILES notation for 1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one?
The canonical SMILES for 1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one is CCCn1ccn(CC(F)(F)F)c1=O.
What is the InChIKey of 1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one?
The InChIKey is HBDNYGDUCFQBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-3-12-4-5-13(7(12)14)6-8(9,10)11/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one?
1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one has a molecular weight of 208.18 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2,2,2-trifluoroethyl)imidazol-2-one is sourced from PubChem (CID 116624667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).