2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol

C19H20F3NO — CID 91457304

IUPAC2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
SMILES[H]/N=C(\c1ccccc1)C(O)(CC(C)(C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H20F3NO/c1-17(2,15-11-7-4-8-12-15)13-18(24,19(20,21)22)16(23)14-9-5-3-6-10-14/h3-12,23-24H,13H2,1-2H3/b23-16+
InChIKeyDFTADAMDHJLALD-XQNSMLJCSA-N
MW335.37 g/mol
LogP4.72
Rot. Bonds5

About 2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol

2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol (PubChem CID 91457304) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol.

Molecular Properties

Compound Name2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
PubChem CID91457304
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
SMILES[H]/N=C(\c1ccccc1)C(O)(CC(C)(C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H20F3NO/c1-17(2,15-11-7-4-8-12-15)13-18(24,19(20,21)22)16(23)14-9-5-3-6-10-14/h3-12,23-24H,13H2,1-2H3/b23-16+
InChIKeyDFTADAMDHJLALD-XQNSMLJCSA-N
XLogP4.72
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The IUPAC name of 2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol (CID 91457304) is 2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol.
What is the SMILES notation for 2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The canonical SMILES for 2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol is [H]/N=C(\c1ccccc1)C(O)(CC(C)(C)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The InChIKey is DFTADAMDHJLALD-XQNSMLJCSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-17(2,15-11-7-4-8-12-15)13-18(24,19(20,21)22)16(23)14-9-5-3-6-10-14/h3-12,23-24H,13H2,1-2H3/b23-16+.
What are the key properties of 2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol has a molecular weight of 335.37 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol is sourced from PubChem (CID 91457304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).