(1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium

C16H19F3NO2+ — CID 41493323

IUPAC(1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium
SMILESCC(C)(CO)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H18F3NO2/c1-15(2,10-21)20-9-13-6-7-14(22-13)11-4-3-5-12(8-11)16(17,18)19/h3-8,20-21H,9-10H2,1-2H3/p+1
InChIKeyUKBHURMOKDKGIX-UHFFFAOYSA-O
MW314.33 g/mol
LogP2.80
Rot. Bonds5

About (1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium

(1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium (PubChem CID 41493323) has the molecular formula C16H19F3NO2+ and a molecular weight of 314.33 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium
PubChem CID41493323
Molecular FormulaC16H19F3NO2+
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name(1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium
SMILESCC(C)(CO)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H18F3NO2/c1-15(2,10-21)20-9-13-6-7-14(22-13)11-4-3-5-12(8-11)16(17,18)19/h3-8,20-21H,9-10H2,1-2H3/p+1
InChIKeyUKBHURMOKDKGIX-UHFFFAOYSA-O
XLogP2.80
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium (CID 41493323) is (1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium is CC(C)(CO)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium?
The InChIKey is UKBHURMOKDKGIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18F3NO2/c1-15(2,10-21)20-9-13-6-7-14(22-13)11-4-3-5-12(8-11)16(17,18)19/h3-8,20-21H,9-10H2,1-2H3/p+1.
What are the key properties of (1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium?
(1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium has a molecular weight of 314.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium is sourced from PubChem (CID 41493323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).