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

C10H12F3NO — CID 11413331

IUPAC(1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol
SMILESCN(C)c1ccc([C@H](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/t9-/m0/s1
InChIKeySOYRNYDJSIZAFO-VIFPVBQESA-N
MW219.21 g/mol
LogP2.35
Rot. Bonds2

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

(1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol (PubChem CID 11413331) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol
PubChem CID11413331
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol
SMILESCN(C)c1ccc([C@H](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/t9-/m0/s1
InChIKeySOYRNYDJSIZAFO-VIFPVBQESA-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'}

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Related Compounds

(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
2,2,2-trifluoro-1-(4-sulfanylphenyl)ethanol
CID 90402537
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
CID 132579488
1-(4-ethenylphenyl)-2,2,2-trifluoroethanol
CID 20741103
2-(dimethylamino)-1-[4-(dimethylamino)phenyl]ethanol
CID 24975028
(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid
CID 15941789
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol
CID 121000977
[[4-(dimethylamino)phenyl]-hydroxymethyl]phosphonic acid
CID 19356884

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of (1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol (CID 11413331) is (1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for (1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for (1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol is CN(C)c1ccc([C@H](O)C(F)(F)F)cc1.
What is the InChIKey of (1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol?
The InChIKey is SOYRNYDJSIZAFO-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol?
(1S)-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 (1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 11413331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).