1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol

C10H12F3NO — CID 11830942

IUPAC1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol
SMILESCN(C)c1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-14(2)8-5-3-7(4-6-8)9(15)10(11,12)13/h3-6,9,15H,1-2H3
InChIKeySOYRNYDJSIZAFO-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.35
Rot. Bonds2

About 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol

1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol (PubChem CID 11830942) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol
PubChem CID11830942
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol
SMILESCN(C)c1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-14(2)8-5-3-7(4-6-8)9(15)10(11,12)13/h3-6,9,15H,1-2H3
InChIKeySOYRNYDJSIZAFO-UHFFFAOYSA-N
XLogP2.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol 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-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol (CID 11830942) is 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol is CN(C)c1ccc(C(O)C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol?
The InChIKey is SOYRNYDJSIZAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-14(2)8-5-3-7(4-6-8)9(15)10(11,12)13/h3-6,9,15H,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol?
1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol has a molecular weight of 219.21 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 11830942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).