3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol

C10H16F3N3O — CID 114272808

IUPAC3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(N)C(O)(c1cn(CC)cn1)C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-3-7(14)9(17,10(11,12)13)8-5-16(4-2)6-15-8/h5-7,17H,3-4,14H2,1-2H3
InChIKeyHACHZYZNUIYORN-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.39
Rot. Bonds4

About 3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol

3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol (PubChem CID 114272808) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol
PubChem CID114272808
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(N)C(O)(c1cn(CC)cn1)C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-3-7(14)9(17,10(11,12)13)8-5-16(4-2)6-15-8/h5-7,17H,3-4,14H2,1-2H3
InChIKeyHACHZYZNUIYORN-UHFFFAOYSA-N
XLogP1.39
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol (CID 114272808) is 3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol is CCC(N)C(O)(c1cn(CC)cn1)C(F)(F)F.
What is the InChIKey of 3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol?
The InChIKey is HACHZYZNUIYORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-3-7(14)9(17,10(11,12)13)8-5-16(4-2)6-15-8/h5-7,17H,3-4,14H2,1-2H3.
What are the key properties of 3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol?
3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol has a molecular weight of 251.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-ethylimidazol-4-yl)-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 114272808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).