2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine

C9H10F4N2 — CID 107643986

IUPAC2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine
SMILESCC(CN)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H10F4N2/c1-4(3-14)15-9-7(12)5(10)2-6(11)8(9)13/h2,4,15H,3,14H2,1H3
InChIKeyXYJSNWHJDUJBPA-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.00
Rot. Bonds3

About 2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine

2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine (PubChem CID 107643986) has the molecular formula C9H10F4N2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine
PubChem CID107643986
Molecular FormulaC9H10F4N2
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC Name2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine
SMILESCC(CN)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H10F4N2/c1-4(3-14)15-9-7(12)5(10)2-6(11)8(9)13/h2,4,15H,3,14H2,1H3
InChIKeyXYJSNWHJDUJBPA-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-N-(2,3,5,6-tetrafluorophenyl)propane-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-butan-2-yl-2,3,5,6-tetrafluoroaniline
CID 107644089
2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
CID 107643577
N-(1-cyclobutylpropan-2-yl)-2,3,5,6-tetrafluoroaniline
CID 107643836
2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 82505025
2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971
2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol
CID 107643968
2,3,5,6-tetrafluoro-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 107643869
2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine
CID 107591558
2-N-(3,5-dimethyl-4-pyridinyl)propane-1,2-diamine
CID 83828100
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644485
N-(3-methylbutyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644351

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine (CID 107643986) is 2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine is CC(CN)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine?
The InChIKey is XYJSNWHJDUJBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2/c1-4(3-14)15-9-7(12)5(10)2-6(11)8(9)13/h2,4,15H,3,14H2,1H3.
What are the key properties of 2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine?
2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine has a molecular weight of 222.18 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3,5,6-tetrafluorophenyl)propane-1,2-diamine is sourced from PubChem (CID 107643986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).