5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine

C11H12ClF4N3 — CID 103552923

IUPAC5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine
SMILESNc1cc(N)c(N(CC(F)(F)F)C2CC2)c(F)c1Cl
InChIInChI=1S/C11H12ClF4N3/c12-8-6(17)3-7(18)10(9(8)13)19(5-1-2-5)4-11(14,15)16/h3,5H,1-2,4,17-18H2
InChIKeyPWPNZDLITFIVLZ-UHFFFAOYSA-N
MW297.68 g/mol
LogP3.17
Rot. Bonds3

About 5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine

5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine (PubChem CID 103552923) has the molecular formula C11H12ClF4N3 and a molecular weight of 297.68 g/mol. Its IUPAC name is 5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine
PubChem CID103552923
Molecular FormulaC11H12ClF4N3
Molecular Weight297.68 g/mol
Exact Mass297.07
IUPAC Name5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine
SMILESNc1cc(N)c(N(CC(F)(F)F)C2CC2)c(F)c1Cl
InChIInChI=1S/C11H12ClF4N3/c12-8-6(17)3-7(18)10(9(8)13)19(5-1-2-5)4-11(14,15)16/h3,5H,1-2,4,17-18H2
InChIKeyPWPNZDLITFIVLZ-UHFFFAOYSA-N
XLogP3.17
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.68
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine 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

5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine
CID 103553299
5-chloro-1-N-cycloheptyl-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552727
3,5-dichloro-6-N-cyclopropyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
CID 102757430
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 116735744
1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 55011299
3-(chloromethyl)-N-cyclopropyl-5-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 106530398
5-chloro-1-N-ethyl-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552641
5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80630541
4-chloro-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzene-1,3-diamine
CID 103553073
5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine
CID 103552522
5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 55009351
4-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62128950

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine (CID 103552923) is 5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine is Nc1cc(N)c(N(CC(F)(F)F)C2CC2)c(F)c1Cl.
What is the InChIKey of 5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine?
The InChIKey is PWPNZDLITFIVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF4N3/c12-8-6(17)3-7(18)10(9(8)13)19(5-1-2-5)4-11(14,15)16/h3,5H,1-2,4,17-18H2.
What are the key properties of 5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine?
5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine has a molecular weight of 297.68 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine is sourced from PubChem (CID 103552923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).