[2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol

C14H10BrF4NO — CID 106645175

IUPAC[2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol
SMILESNc1ccc(C(F)(F)F)cc1C(O)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrF4NO/c15-10-3-1-2-8(12(10)16)13(21)9-6-7(14(17,18)19)4-5-11(9)20/h1-6,13,21H,20H2
InChIKeyMSXVJITVDQQIBU-UHFFFAOYSA-N
MW364.14 g/mol
LogP4.27
Rot. Bonds2

About [2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol

[2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol (PubChem CID 106645175) has the molecular formula C14H10BrF4NO and a molecular weight of 364.14 g/mol. Its IUPAC name is [2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Name[2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol
PubChem CID106645175
Molecular FormulaC14H10BrF4NO
Molecular Weight364.14 g/mol
Exact Mass362.99
IUPAC Name[2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol
SMILESNc1ccc(C(F)(F)F)cc1C(O)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrF4NO/c15-10-3-1-2-8(12(10)16)13(21)9-6-7(14(17,18)19)4-5-11(9)20/h1-6,13,21H,20H2
InChIKeyMSXVJITVDQQIBU-UHFFFAOYSA-N
XLogP4.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol 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 [2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol?
The IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol (CID 106645175) is [2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for [2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol?
The canonical SMILES for [2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol is Nc1ccc(C(F)(F)F)cc1C(O)c1cccc(Br)c1F.
What is the InChIKey of [2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol?
The InChIKey is MSXVJITVDQQIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO/c15-10-3-1-2-8(12(10)16)13(21)9-6-7(14(17,18)19)4-5-11(9)20/h1-6,13,21H,20H2.
What are the key properties of [2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol?
[2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol has a molecular weight of 364.14 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 106645175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).