amino-[3,5-bis(trifluoromethyl)anilino]methanol

C9H8F6N2O — CID 166475338

IUPACamino-[3,5-bis(trifluoromethyl)anilino]methanol
SMILESNC(O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F6N2O/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(16)18/h1-3,7,17-18H,16H2
InChIKeyXTINOGYAGZOYLM-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.37
Rot. Bonds2

About amino-[3,5-bis(trifluoromethyl)anilino]methanol

amino-[3,5-bis(trifluoromethyl)anilino]methanol (PubChem CID 166475338) has the molecular formula C9H8F6N2O and a molecular weight of 274.16 g/mol. Its IUPAC name is amino-[3,5-bis(trifluoromethyl)anilino]methanol.

Molecular Properties

Compound Nameamino-[3,5-bis(trifluoromethyl)anilino]methanol
PubChem CID166475338
Molecular FormulaC9H8F6N2O
Molecular Weight274.16 g/mol
Exact Mass274.05
IUPAC Nameamino-[3,5-bis(trifluoromethyl)anilino]methanol
SMILESNC(O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F6N2O/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(16)18/h1-3,7,17-18H,16H2
InChIKeyXTINOGYAGZOYLM-UHFFFAOYSA-N
XLogP2.37
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze amino-[3,5-bis(trifluoromethyl)anilino]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 138108892
3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline
CID 65491386
(1R,2R)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol
CID 101179006
1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol
CID 123778548
2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
CID 65489625
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide
CID 65490818
N,N'-bis[3,5-bis(trifluoromethyl)phenyl]propane-1,3-diamine
CID 18328560
(1R,2S)-2-amino-2-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylethanol;hydrochloride
CID 171161877
(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171263130
[(1S,2S)-1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]carbamic acid
CID 87601818
3-bromo-N-but-3-en-2-yl-5-(trifluoromethyl)aniline
CID 107907159
3-bromo-N-(1,1-dimethoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 65490001

Frequently Asked Questions

What is the IUPAC name of amino-[3,5-bis(trifluoromethyl)anilino]methanol?
The IUPAC name of amino-[3,5-bis(trifluoromethyl)anilino]methanol (CID 166475338) is amino-[3,5-bis(trifluoromethyl)anilino]methanol.
What is the SMILES notation for amino-[3,5-bis(trifluoromethyl)anilino]methanol?
The canonical SMILES for amino-[3,5-bis(trifluoromethyl)anilino]methanol is NC(O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of amino-[3,5-bis(trifluoromethyl)anilino]methanol?
The InChIKey is XTINOGYAGZOYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(16)18/h1-3,7,17-18H,16H2.
What are the key properties of amino-[3,5-bis(trifluoromethyl)anilino]methanol?
amino-[3,5-bis(trifluoromethyl)anilino]methanol has a molecular weight of 274.16 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[3,5-bis(trifluoromethyl)anilino]methanol is sourced from PubChem (CID 166475338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).