2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol

C14H11BrF3NO — CID 65437921

IUPAC2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
SMILESOC(CNc1ccc(Br)c(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C14H11BrF3NO/c15-11-4-2-9(6-13(11)18)19-7-14(20)10-3-1-8(16)5-12(10)17/h1-6,14,19-20H,7H2
InChIKeyWXJJJUBBYDQLAQ-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.01
Rot. Bonds4

About 2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol

2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol (PubChem CID 65437921) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is 2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
PubChem CID65437921
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
SMILESOC(CNc1ccc(Br)c(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C14H11BrF3NO/c15-11-4-2-9(6-13(11)18)19-7-14(20)10-3-1-8(16)5-12(10)17/h1-6,14,19-20H,7H2
InChIKeyWXJJJUBBYDQLAQ-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol 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-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol (CID 65437921) is 2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol is OC(CNc1ccc(Br)c(F)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol?
The InChIKey is WXJJJUBBYDQLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-11-4-2-9(6-13(11)18)19-7-14(20)10-3-1-8(16)5-12(10)17/h1-6,14,19-20H,7H2.
What are the key properties of 2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol?
2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol has a molecular weight of 346.15 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 65437921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).