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

C8H8ClF4N3 — CID 103552522

IUPAC5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine
SMILESNc1cc(N)c(NCC(F)(F)F)c(F)c1Cl
InChIInChI=1S/C8H8ClF4N3/c9-5-3(14)1-4(15)7(6(5)10)16-2-8(11,12)13/h1,16H,2,14-15H2
InChIKeyBDGGFKHBHIUTNX-UHFFFAOYSA-N
MW257.62 g/mol
LogP2.62
Rot. Bonds2

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

5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine (PubChem CID 103552522) has the molecular formula C8H8ClF4N3 and a molecular weight of 257.62 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine
PubChem CID103552522
Molecular FormulaC8H8ClF4N3
Molecular Weight257.62 g/mol
Exact Mass257.03
IUPAC Name5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine
SMILESNc1cc(N)c(NCC(F)(F)F)c(F)c1Cl
InChIInChI=1S/C8H8ClF4N3/c9-5-3(14)1-4(15)7(6(5)10)16-2-8(11,12)13/h1,16H,2,14-15H2
InChIKeyBDGGFKHBHIUTNX-UHFFFAOYSA-N
XLogP2.62
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.62
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-fluoro-1-N-(2-methylsulfanylethyl)benzene-1,2,4-triamine
CID 103553150
5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine
CID 106007183
5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine
CID 103553460
[4-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]phenyl]methanol
CID 107231596
[1-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]cyclopropyl]methanol
CID 103553357
5-chloro-1-N-[2-[ethyl(methyl)amino]ethyl]-6-fluorobenzene-1,2,4-triamine
CID 103553047
5-chloro-1-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzene-1,2,4-triamine
CID 103553011
2,6-difluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 61016127
3-(4,6-diamino-3-chloro-2-fluoroanilino)-3-methylbutanamide
CID 106095656
5-chloro-6-fluoro-1-N-(2-piperidin-1-ylethyl)benzene-1,2,4-triamine
CID 103552870
1-(4,6-diamino-3-chloro-2-fluoroanilino)-3-ethylpentan-2-ol
CID 106284341
5-chloro-6-fluoro-1-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2,4-triamine
CID 103553520

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine?
The IUPAC name of 5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine (CID 103552522) is 5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine is Nc1cc(N)c(NCC(F)(F)F)c(F)c1Cl.
What is the InChIKey of 5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine?
The InChIKey is BDGGFKHBHIUTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF4N3/c9-5-3(14)1-4(15)7(6(5)10)16-2-8(11,12)13/h1,16H,2,14-15H2.
What are the key properties of 5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine?
5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine has a molecular weight of 257.62 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine is sourced from PubChem (CID 103552522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).