(3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol

C11H13F3N2O — CID 10658062

IUPAC(3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol
SMILESCN(C)/N=C/C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-16(2)15-8-10(17,11(12,13)14)9-6-4-3-5-7-9/h3-8,17H,1-2H3/b15-8+
InChIKeyYNSLZFGRPLYWLE-OVCLIPMQSA-N
MW246.23 g/mol
LogP1.98
Rot. Bonds3

About (3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol

(3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol (PubChem CID 10658062) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is (3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol.

Molecular Properties

Compound Name(3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol
PubChem CID10658062
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name(3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol
SMILESCN(C)/N=C/C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-16(2)15-8-10(17,11(12,13)14)9-6-4-3-5-7-9/h3-8,17H,1-2H3/b15-8+
InChIKeyYNSLZFGRPLYWLE-OVCLIPMQSA-N
XLogP1.98
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
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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Related Compounds

2-Hydroxy-4-(hydroxyimino)-2-phenylpentanal oxime
CID 9571476
(1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol
CID 54608137
4-[3-(trifluoromethyl)phenyl]-3H-pyridin-4-ol
CID 153773417
1-[2-[(E)-(dimethylhydrazinylidene)methyl]cyclopenten-1-yl]-1-phenylethanol
CID 134867566
(1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol
CID 134905620
(1S,2S,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol
CID 134975766
(3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol
CID 10825220
(3E)-2-benzyl-1,1,1-trifluoro-3-pyrrolidin-1-yliminopropan-2-ol
CID 15852813
(3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol
CID 15893171
(2R)-1,1,1-trifluoro-2-phenyl-3-propan-2-yliminopropan-2-ol
CID 125489389
(2S)-1,1,1-trifluoro-2-phenyl-3-propan-2-yliminopropan-2-ol
CID 125489390
4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol
CID 141000137

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol?
The IUPAC name of (3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol (CID 10658062) is (3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol.
What is the SMILES notation for (3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol?
The canonical SMILES for (3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol is CN(C)/N=C/C(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol?
The InChIKey is YNSLZFGRPLYWLE-OVCLIPMQSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-16(2)15-8-10(17,11(12,13)14)9-6-4-3-5-7-9/h3-8,17H,1-2H3/b15-8+.
What are the key properties of (3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol?
(3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol has a molecular weight of 246.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol is sourced from PubChem (CID 10658062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).