2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine

C13H12F2N2 — CID 115123848

IUPAC2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
SMILESNc1ccc(NCc2ccc(F)cc2)cc1F
InChIInChI=1S/C13H12F2N2/c14-10-3-1-9(2-4-10)8-17-11-5-6-13(16)12(15)7-11/h1-7,17H,8,16H2
InChIKeyFWIJGECEQSAGFT-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.16
Rot. Bonds3

About 2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine

2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine (PubChem CID 115123848) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
PubChem CID115123848
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
SMILESNc1ccc(NCc2ccc(F)cc2)cc1F
InChIInChI=1S/C13H12F2N2/c14-10-3-1-9(2-4-10)8-17-11-5-6-13(16)12(15)7-11/h1-7,17H,8,16H2
InChIKeyFWIJGECEQSAGFT-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115470
4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123846
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 115123885
1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone
CID 104528246
4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
CID 106750235
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;hydrochloride
CID 10020110
4-N-[(2,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123857
hexyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
CID 137420687
N-benzyl-3,4-difluoroaniline
CID 21321396
N-[(4-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2966855

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine (CID 115123848) is 2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine is Nc1ccc(NCc2ccc(F)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine?
The InChIKey is FWIJGECEQSAGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-10-3-1-9(2-4-10)8-17-11-5-6-13(16)12(15)7-11/h1-7,17H,8,16H2.
What are the key properties of 2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine?
2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine has a molecular weight of 234.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 115123848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).