(3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol

C12H15F3N2O — CID 10825220

IUPAC(3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol
SMILESCN(C)/N=C/C(O)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-17(2)16-9-11(18,12(13,14)15)8-10-6-4-3-5-7-10/h3-7,9,18H,8H2,1-2H3/b16-9+
InChIKeyIGYRWDZZQAPZEP-CXUHLZMHSA-N
MW260.26 g/mol
LogP2.07
Rot. Bonds4

About (3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol

(3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol (PubChem CID 10825220) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is (3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol
PubChem CID10825220
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name(3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol
SMILESCN(C)/N=C/C(O)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-17(2)16-9-11(18,12(13,14)15)8-10-6-4-3-5-7-10/h3-7,9,18H,8H2,1-2H3/b16-9+
InChIKeyIGYRWDZZQAPZEP-CXUHLZMHSA-N
XLogP2.07
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.07
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

1,1,1-Trifluoro-2-methanimidoyl-4-methyl-4-phenylpentan-2-ol
CID 141115776
(1Z)-1-(dimethylhydrazinylidene)-2-methyl-1-phenylpent-4-en-2-ol
CID 14470974
1-[2-[(E)-(dimethylhydrazinylidene)methyl]cyclopenten-1-yl]-1-phenylethanol
CID 134867566
(1E)-1-(dimethylhydrazinylidene)-2-methyl-1-phenylpent-4-en-2-ol
CID 134930482
(3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-2-phenylpropan-2-ol
CID 10658062
(E)-2-benzyl-3,3,3-trifluoro-2-methoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10851756
(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
1,1,1-Trifluoro-2-phenyl-3-propan-2-yliminopropan-2-ol
CID 162535915
2-Benzyl-3-(tert-butylhydrazinylidene)-1,1,1-trifluoropropan-2-ol
CID 162538988

Frequently Asked Questions

What is the IUPAC name of (3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol (CID 10825220) is (3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol is CN(C)/N=C/C(O)(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol?
The InChIKey is IGYRWDZZQAPZEP-CXUHLZMHSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-17(2)16-9-11(18,12(13,14)15)8-10-6-4-3-5-7-10/h3-7,9,18H,8H2,1-2H3/b16-9+.
What are the key properties of (3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol?
(3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol has a molecular weight of 260.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-benzyl-3-(dimethylhydrazinylidene)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 10825220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).