2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine

C10H10F6N2S — CID 106426395

IUPAC2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
SMILESNc1ccc(NCCSC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H10F6N2S/c11-9(12,13)7-5-6(1-2-8(7)17)18-3-4-19-10(14,15)16/h1-2,5,18H,3-4,17H2
InChIKeySMYYAFDUMXOYFE-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.95
Rot. Bonds4

About 2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine

2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine (PubChem CID 106426395) has the molecular formula C10H10F6N2S and a molecular weight of 304.26 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
PubChem CID106426395
Molecular FormulaC10H10F6N2S
Molecular Weight304.26 g/mol
Exact Mass304.05
IUPAC Name2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
SMILESNc1ccc(NCCSC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H10F6N2S/c11-9(12,13)7-5-6(1-2-8(7)17)18-3-4-19-10(14,15)16/h1-2,5,18H,3-4,17H2
InChIKeySMYYAFDUMXOYFE-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
CID 114187380
1-[2-amino-5-[2-(trifluoromethylsulfanyl)ethylamino]phenyl]ethanone
CID 114187363
4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115470
3,4-bis[4-amino-3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 169099220
6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine
CID 116615684
4-bromo-3-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]aniline
CID 107620057
4-N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 107846020
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106393641
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclopropyl]methanol
CID 113313129
4-N-(3-imidazol-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 28994097
tert-butyl N-[3-[4-amino-3-(trifluoromethyl)anilino]propyl]carbamate
CID 104932863
5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol
CID 106141163

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine (CID 106426395) is 2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine is Nc1ccc(NCCSC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine?
The InChIKey is SMYYAFDUMXOYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2S/c11-9(12,13)7-5-6(1-2-8(7)17)18-3-4-19-10(14,15)16/h1-2,5,18H,3-4,17H2.
What are the key properties of 2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine?
2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine has a molecular weight of 304.26 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 106426395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).