1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine

C10H16F3N3O — CID 106721475

IUPAC1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3O/c1-2-8(14)5-9-6-16(7-15-9)3-4-17-10(11,12)13/h6-8H,2-5,14H2,1H3
InChIKeyDHXMSWGTSFDZTR-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.70
Rot. Bonds6

About 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine

1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine (PubChem CID 106721475) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine
PubChem CID106721475
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3O/c1-2-8(14)5-9-6-16(7-15-9)3-4-17-10(11,12)13/h6-8H,2-5,14H2,1H3
InChIKeyDHXMSWGTSFDZTR-UHFFFAOYSA-N
XLogP1.70
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-1H-imidazol-5-yl)propan-2-amine
CID 55212033
1-[3-Ethyl-2-(2,2,2-trifluoroethoxy)imidazol-4-yl]ethanamine
CID 57782233
(2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine
CID 129102621
(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethanamine
CID 130469584
1-[1-(4,4-Difluorocyclohexyl)imidazol-4-yl]ethanamine
CID 137440031
N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-1-methoxyethanamine
CID 144043513
1-[1-(2,2,2-Trifluoroethyl)imidazol-4-yl]propan-1-amine
CID 144950523
1-[2-(Difluoromethoxy)ethyl]-5-propan-2-ylimidazole
CID 170023299
4-(1,1-Difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane
CID 170707530
[2-Amino-1-(1-ethylimidazol-4-yl)butyl] 2,2,2-trifluoroacetate
CID 174445304
N-[(3-propylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66129788
N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66133033

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine (CID 106721475) is 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine is CCC(N)Cc1cn(CCOC(F)(F)F)cn1.
What is the InChIKey of 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine?
The InChIKey is DHXMSWGTSFDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-2-8(14)5-9-6-16(7-15-9)3-4-17-10(11,12)13/h6-8H,2-5,14H2,1H3.
What are the key properties of 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine?
1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]butan-2-amine is sourced from PubChem (CID 106721475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).