N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

C18H19F5N4 — CID 45481708

IUPACN'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCN(C)CCCN(/N=N/c1cc(F)ccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F5N4/c1-26(2)9-4-10-27(15-6-3-5-13(11-15)18(21,22)23)25-24-17-12-14(19)7-8-16(17)20/h3,5-8,11-12H,4,9-10H2,1-2H3/b25-24+
InChIKeyNFGSBMBGFSQMLW-OCOZRVBESA-N
MW386.37 g/mol
LogP5.44
Rot. Bonds7

About N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (PubChem CID 45481708) has the molecular formula C18H19F5N4 and a molecular weight of 386.37 g/mol. Its IUPAC name is N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
PubChem CID45481708
Molecular FormulaC18H19F5N4
Molecular Weight386.37 g/mol
Exact Mass386.15
IUPAC NameN'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCN(C)CCCN(/N=N/c1cc(F)ccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F5N4/c1-26(2)9-4-10-27(15-6-3-5-13(11-15)18(21,22)23)25-24-17-12-14(19)7-8-16(17)20/h3,5-8,11-12H,4,9-10H2,1-2H3/b25-24+
InChIKeyNFGSBMBGFSQMLW-OCOZRVBESA-N
XLogP5.44
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The IUPAC name of N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (CID 45481708) is N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is CN(C)CCCN(/N=N/c1cc(F)ccc1F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The InChIKey is NFGSBMBGFSQMLW-OCOZRVBESA-N. The full InChI is InChI=1S/C18H19F5N4/c1-26(2)9-4-10-27(15-6-3-5-13(11-15)18(21,22)23)25-24-17-12-14(19)7-8-16(17)20/h3,5-8,11-12H,4,9-10H2,1-2H3/b25-24+.
What are the key properties of N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine has a molecular weight of 386.37 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-difluorophenyl)diazenyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 45481708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).