1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine

C10H10Cl2F3N3 — CID 90746753

IUPAC1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine
SMILESCC(N)C/N=N/c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10Cl2F3N3/c1-5(16)4-17-18-9-7(11)2-6(3-8(9)12)10(13,14)15/h2-3,5H,4,16H2,1H3/b18-17+
InChIKeyVJNPPCQLOBCAHV-ISLYRVAYSA-N
MW300.11 g/mol
LogP4.44
Rot. Bonds3

About 1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine

1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine (PubChem CID 90746753) has the molecular formula C10H10Cl2F3N3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine.

Molecular Properties

Compound Name1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine
PubChem CID90746753
Molecular FormulaC10H10Cl2F3N3
Molecular Weight300.11 g/mol
Exact Mass299.02
IUPAC Name1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine
SMILESCC(N)C/N=N/c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10Cl2F3N3/c1-5(16)4-17-18-9-7(11)2-6(3-8(9)12)10(13,14)15/h2-3,5H,4,16H2,1H3/b18-17+
InChIKeyVJNPPCQLOBCAHV-ISLYRVAYSA-N
XLogP4.44
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine?
The IUPAC name of 1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine (CID 90746753) is 1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine.
What is the SMILES notation for 1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine?
The canonical SMILES for 1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine is CC(N)C/N=N/c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine?
The InChIKey is VJNPPCQLOBCAHV-ISLYRVAYSA-N. The full InChI is InChI=1S/C10H10Cl2F3N3/c1-5(16)4-17-18-9-7(11)2-6(3-8(9)12)10(13,14)15/h2-3,5H,4,16H2,1H3/b18-17+.
What are the key properties of 1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine?
1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine has a molecular weight of 300.11 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]propan-2-amine is sourced from PubChem (CID 90746753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).