3-[2-(difluoromethoxy)phenyl]aniline

C13H11F2NO — CID 123445496

IUPAC3-[2-(difluoromethoxy)phenyl]aniline
SMILESNc1cccc(-c2ccccc2OC(F)F)c1
InChIInChI=1S/C13H11F2NO/c14-13(15)17-12-7-2-1-6-11(12)9-4-3-5-10(16)8-9/h1-8,13H,16H2
InChIKeyCVFKRKLSFVEXMT-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.54
Rot. Bonds3

About 3-[2-(difluoromethoxy)phenyl]aniline

3-[2-(difluoromethoxy)phenyl]aniline (PubChem CID 123445496) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]aniline
PubChem CID123445496
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name3-[2-(difluoromethoxy)phenyl]aniline
SMILESNc1cccc(-c2ccccc2OC(F)F)c1
InChIInChI=1S/C13H11F2NO/c14-13(15)17-12-7-2-1-6-11(12)9-4-3-5-10(16)8-9/h1-8,13H,16H2
InChIKeyCVFKRKLSFVEXMT-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(difluoromethoxy)phenyl]aniline 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 3-[2-(difluoromethoxy)phenyl]aniline?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]aniline (CID 123445496) is 3-[2-(difluoromethoxy)phenyl]aniline.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]aniline?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]aniline is Nc1cccc(-c2ccccc2OC(F)F)c1.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]aniline?
The InChIKey is CVFKRKLSFVEXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c14-13(15)17-12-7-2-1-6-11(12)9-4-3-5-10(16)8-9/h1-8,13H,16H2.
What are the key properties of 3-[2-(difluoromethoxy)phenyl]aniline?
3-[2-(difluoromethoxy)phenyl]aniline has a molecular weight of 235.23 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]aniline is sourced from PubChem (CID 123445496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).