2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol

C14H19F3N2O — CID 162538988

IUPAC2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)NN=CC(O)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-12(2,3)19-18-10-13(20,14(15,16)17)9-11-7-5-4-6-8-11/h4-8,10,19-20H,9H2,1-3H3
InChIKeyZAAOSRYGYGTZBJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.90
Rot. Bonds4

About 2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol

2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol (PubChem CID 162538988) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol
PubChem CID162538988
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)NN=CC(O)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-12(2,3)19-18-10-13(20,14(15,16)17)9-11-7-5-4-6-8-11/h4-8,10,19-20H,9H2,1-3H3
InChIKeyZAAOSRYGYGTZBJ-UHFFFAOYSA-N
XLogP2.90
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol (CID 162538988) is 2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol is CC(C)(C)NN=CC(O)(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZAAOSRYGYGTZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-12(2,3)19-18-10-13(20,14(15,16)17)9-11-7-5-4-6-8-11/h4-8,10,19-20H,9H2,1-3H3.
What are the key properties of 2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol?
2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol has a molecular weight of 288.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 162538988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).