N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine

C8H7Cl2F3N2 — CID 58121577

IUPACN'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
SMILESNCNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H7Cl2F3N2/c9-5-1-4(8(11,12)13)2-6(10)7(5)15-3-14/h1-2,15H,3,14H2
InChIKeyBJQGOAMHZYIQQY-UHFFFAOYSA-N
MW259.06 g/mol
LogP3.34
Rot. Bonds2

About N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine

N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine (PubChem CID 58121577) has the molecular formula C8H7Cl2F3N2 and a molecular weight of 259.06 g/mol. Its IUPAC name is N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine.

Molecular Properties

Compound NameN'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
PubChem CID58121577
Molecular FormulaC8H7Cl2F3N2
Molecular Weight259.06 g/mol
Exact Mass257.99
IUPAC NameN'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
SMILESNCNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H7Cl2F3N2/c9-5-1-4(8(11,12)13)2-6(10)7(5)15-3-14/h1-2,15H,3,14H2
InChIKeyBJQGOAMHZYIQQY-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine
CID 150390045
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
CID 142056538
3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide
CID 141019258
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]methanamine
CID 171014285
2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol
CID 84690065
2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 83078179
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 28993149
2-chloro-4,6-bis(trifluoromethyl)aniline
CID 21396780
N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline
CID 116698793

Frequently Asked Questions

What is the IUPAC name of N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine?
The IUPAC name of N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine (CID 58121577) is N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine.
What is the SMILES notation for N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine?
The canonical SMILES for N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine is NCNc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine?
The InChIKey is BJQGOAMHZYIQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F3N2/c9-5-1-4(8(11,12)13)2-6(10)7(5)15-3-14/h1-2,15H,3,14H2.
What are the key properties of N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine?
N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine has a molecular weight of 259.06 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine is sourced from PubChem (CID 58121577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).