2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline

C13H10F3N — CID 61075368

IUPAC2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
SMILESFc1ccccc1CNc1cccc(F)c1F
InChIInChI=1S/C13H10F3N/c14-10-5-2-1-4-9(10)8-17-12-7-3-6-11(15)13(12)16/h1-7,17H,8H2
InChIKeyOUNHXIVPLHMFCY-UHFFFAOYSA-N
MW237.22 g/mol
LogP3.72
Rot. Bonds3

About 2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline

2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline (PubChem CID 61075368) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
PubChem CID61075368
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
SMILESFc1ccccc1CNc1cccc(F)c1F
InChIInChI=1S/C13H10F3N/c14-10-5-2-1-4-9(10)8-17-12-7-3-6-11(15)13(12)16/h1-7,17H,8H2
InChIKeyOUNHXIVPLHMFCY-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline 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

N-[(2-aminophenyl)methyl]-2,3-difluoroaniline
CID 66419423
2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 61075903
N-benzyl-2,3-difluoroaniline
CID 21321341
4-[(2,3-difluoroanilino)methyl]benzene-1,3-diol
CID 61075014
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54957845
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
3-chloro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 104835684
2,3-difluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315086
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline?
The IUPAC name of 2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline (CID 61075368) is 2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline?
The canonical SMILES for 2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline is Fc1ccccc1CNc1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline?
The InChIKey is OUNHXIVPLHMFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c14-10-5-2-1-4-9(10)8-17-12-7-3-6-11(15)13(12)16/h1-7,17H,8H2.
What are the key properties of 2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline?
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline has a molecular weight of 237.22 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline is sourced from PubChem (CID 61075368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).