[2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol

C8H7BrF3NO — CID 131118686

IUPAC[2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol
SMILESNc1cc(Br)c(C(F)(F)F)cc1CO
InChIInChI=1S/C8H7BrF3NO/c9-6-2-7(13)4(3-14)1-5(6)8(10,11)12/h1-2,14H,3,13H2
InChIKeyQHNSTZAAEAYYQN-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.54
Rot. Bonds1

About [2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol

[2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol (PubChem CID 131118686) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is [2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol
PubChem CID131118686
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name[2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol
SMILESNc1cc(Br)c(C(F)(F)F)cc1CO
InChIInChI=1S/C8H7BrF3NO/c9-6-2-7(13)4(3-14)1-5(6)8(10,11)12/h1-2,14H,3,13H2
InChIKeyQHNSTZAAEAYYQN-UHFFFAOYSA-N
XLogP2.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [2-amino-4-bromo-5-(trifluoromethyl)phenyl]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

[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514
(2-amino-4,5-dibromophenyl)methanol
CID 90154017
5-bromo-2-chloro-4-(trifluoromethyl)aniline
CID 121227632
[5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol
CID 130775166
[4-amino-2-chloro-5-(trifluoromethyl)phenyl]methanol
CID 118806771
5-bromo-2-(trifluoromethoxy)-4-(trifluoromethyl)aniline
CID 134629385
5-bromo-2-(difluoromethoxy)-4-(trifluoromethyl)aniline
CID 131404488
[5-amino-2-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 131189371
5-bromo-2,4-bis(trifluoromethyl)benzamide
CID 134640615
5-bromo-2,4-bis(trifluoromethyl)phenol
CID 119013784
5-bromo-4-iodo-2-(trifluoromethyl)aniline
CID 130730619
ethyl 2-[5-amino-2-bromo-4-(trifluoromethyl)phenyl]acetate
CID 134633507

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol (CID 131118686) is [2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol is Nc1cc(Br)c(C(F)(F)F)cc1CO.
What is the InChIKey of [2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is QHNSTZAAEAYYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-6-2-7(13)4(3-14)1-5(6)8(10,11)12/h1-2,14H,3,13H2.
What are the key properties of [2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol?
[2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 270.05 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-bromo-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 131118686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).