3-fluoro-4-[(4-fluorophenyl)methyl]aniline

C13H11F2N — CID 22600023

IUPAC3-fluoro-4-[(4-fluorophenyl)methyl]aniline
SMILESNc1ccc(Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C13H11F2N/c14-11-4-1-9(2-5-11)7-10-3-6-12(16)8-13(10)15/h1-6,8H,7,16H2
InChIKeyFQRVTPUCNLZWIU-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.14
Rot. Bonds2

About 3-fluoro-4-[(4-fluorophenyl)methyl]aniline

3-fluoro-4-[(4-fluorophenyl)methyl]aniline (PubChem CID 22600023) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-fluoro-4-[(4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(4-fluorophenyl)methyl]aniline
PubChem CID22600023
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name3-fluoro-4-[(4-fluorophenyl)methyl]aniline
SMILESNc1ccc(Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C13H11F2N/c14-11-4-1-9(2-5-11)7-10-3-6-12(16)8-13(10)15/h1-6,8H,7,16H2
InChIKeyFQRVTPUCNLZWIU-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-[(4-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

3-fluoro-4-(iodomethyl)aniline
CID 91883075
N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
4-(2,2-dimethylpropyl)-3-fluoroaniline
CID 121316201
3-fluoro-4-(pyridin-2-ylmethyl)aniline
CID 54086416
4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole
CID 90396848
4-[(4-fluorophenyl)methyl]benzene-1,3-diol
CID 164899043
carbon dioxide;4-ethyl-3-fluoroaniline
CID 158926193
2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
CID 134273598
3-fluoro-4-(propylaminomethyl)aniline
CID 107796533
3-[(2,5-difluorophenyl)methyl]aniline
CID 116925761
2-(2-benzyl-5-fluorophenyl)ethanamine
CID 20642641
4-[(2,4-dichlorophenyl)methyl]aniline
CID 116926043

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-fluorophenyl)methyl]aniline?
The IUPAC name of 3-fluoro-4-[(4-fluorophenyl)methyl]aniline (CID 22600023) is 3-fluoro-4-[(4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 3-fluoro-4-[(4-fluorophenyl)methyl]aniline?
The canonical SMILES for 3-fluoro-4-[(4-fluorophenyl)methyl]aniline is Nc1ccc(Cc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(4-fluorophenyl)methyl]aniline?
The InChIKey is FQRVTPUCNLZWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c14-11-4-1-9(2-5-11)7-10-3-6-12(16)8-13(10)15/h1-6,8H,7,16H2.
What are the key properties of 3-fluoro-4-[(4-fluorophenyl)methyl]aniline?
3-fluoro-4-[(4-fluorophenyl)methyl]aniline has a molecular weight of 219.23 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 22600023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).