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

C14H12F4N2 — CID 43115470

IUPAC4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(NCc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H12F4N2/c15-10-3-1-9(2-4-10)8-20-11-5-6-13(19)12(7-11)14(16,17)18/h1-7,20H,8,19H2
InChIKeyOQVWBCKVWBCZFP-UHFFFAOYSA-N
MW284.26 g/mol
LogP4.04
Rot. Bonds3

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

4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 43115470) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID43115470
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(NCc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H12F4N2/c15-10-3-1-9(2-4-10)8-20-11-5-6-13(19)12(7-11)14(16,17)18/h1-7,20H,8,19H2
InChIKeyOQVWBCKVWBCZFP-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

4-[[4-amino-3-(trifluoromethyl)anilino]methyl]benzonitrile
CID 62267374
2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
CID 115123848
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
1-[4-amino-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CID 16777157
[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969641
2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
CID 106426395
4-bromo-N-[(3,5-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 105403156
N-[(4-aminophenyl)methyl]-3-ethoxy-4-(trifluoromethyl)aniline
CID 59231405
1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone
CID 104528246
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 61281277
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106369393
4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
CID 106750235

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine (CID 43115470) is 4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine is Nc1ccc(NCc2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is OQVWBCKVWBCZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2/c15-10-3-1-9(2-4-10)8-20-11-5-6-13(19)12(7-11)14(16,17)18/h1-7,20H,8,19H2.
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 284.26 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 43115470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).