N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C15H14F4N2 — CID 54806053

IUPACN-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESFc1ccc(NCCNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H14F4N2/c16-12-4-6-13(7-5-12)20-8-9-21-14-3-1-2-11(10-14)15(17,18)19/h1-7,10,20-21H,8-9H2
InChIKeyGPTZPUVDKCKFQL-UHFFFAOYSA-N
MW298.28 g/mol
LogP4.37
Rot. Bonds5

About N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 54806053) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID54806053
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC NameN-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESFc1ccc(NCCNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H14F4N2/c16-12-4-6-13(7-5-12)20-8-9-21-14-3-1-2-11(10-14)15(17,18)19/h1-7,10,20-21H,8-9H2
InChIKeyGPTZPUVDKCKFQL-UHFFFAOYSA-N
XLogP4.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-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

N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
N-butyl-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54807366
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840
N'-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54809449
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
(2S)-1,1,1-trifluoro-4-[3-(trifluoromethyl)anilino]butan-2-ol
CID 1477628
N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline
CID 43095598
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline
CID 54803252
N-hept-6-enyl-3-(trifluoromethyl)aniline
CID 107006422
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 54806053) is N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is Fc1ccc(NCCNc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is GPTZPUVDKCKFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c16-12-4-6-13(7-5-12)20-8-9-21-14-3-1-2-11(10-14)15(17,18)19/h1-7,10,20-21H,8-9H2.
What are the key properties of N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 298.28 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 54806053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).