N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

C10H14F3N3O2 — CID 47143371

IUPACN-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCCNC(=O)CC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-3-14-7(17)6-9(18,10(11,12)13)8-15-4-5-16(8)2/h4-5,18H,3,6H2,1-2H3,(H,14,17)
InChIKeyPJCSDQWKOLTOPD-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.70
Rot. Bonds4

About N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 47143371) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
PubChem CID47143371
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCCNC(=O)CC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-3-14-7(17)6-9(18,10(11,12)13)8-15-4-5-16(8)2/h4-5,18H,3,6H2,1-2H3,(H,14,17)
InChIKeyPJCSDQWKOLTOPD-UHFFFAOYSA-N
XLogP0.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (CID 47143371) is N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is CCNC(=O)CC(O)(c1nccn1C)C(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is PJCSDQWKOLTOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-3-14-7(17)6-9(18,10(11,12)13)8-15-4-5-16(8)2/h4-5,18H,3,6H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 265.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 47143371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).