1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one

C10H14F3N3O — CID 116588500

IUPAC1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
SMILESCCn1ccnc1CC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-2-16-4-3-15-9(16)5-8(17)6-14-7-10(11,12)13/h3-4,14H,2,5-7H2,1H3
InChIKeyWLPMTFHZGKSRAP-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.17
Rot. Bonds6

About 1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one

1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one (PubChem CID 116588500) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
PubChem CID116588500
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
SMILESCCn1ccnc1CC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-2-16-4-3-15-9(16)5-8(17)6-14-7-10(11,12)13/h3-4,14H,2,5-7H2,1H3
InChIKeyWLPMTFHZGKSRAP-UHFFFAOYSA-N
XLogP1.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654
1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-one
CID 79743912
1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 116590833
4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one
CID 79745031
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62565129
1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 79743810
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558888
1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one
CID 116564884
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105115224
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502
3-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-one
CID 116710314

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one (CID 116588500) is 1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one is CCn1ccnc1CC(=O)CNCC(F)(F)F.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The InChIKey is WLPMTFHZGKSRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-16-4-3-15-9(16)5-8(17)6-14-7-10(11,12)13/h3-4,14H,2,5-7H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one has a molecular weight of 249.24 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one is sourced from PubChem (CID 116588500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).