N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide

C14H15Cl2F4N3O — CID 88594713

IUPACN-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide
SMILESC=C/N=C/N(N)CC(COC(F)(F)C(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2F4N3O/c1-2-22-8-23(21)6-9(7-24-14(19,20)13(17)18)11-4-3-10(15)5-12(11)16/h2-5,8-9,13H,1,6-7,21H2/b22-8+
InChIKeyLJCKVPFKNWGUCG-GZIVZEMBSA-N
MW388.19 g/mol
LogP4.30
Rot. Bonds9

About N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide

N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide (PubChem CID 88594713) has the molecular formula C14H15Cl2F4N3O and a molecular weight of 388.19 g/mol. Its IUPAC name is N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide.

Molecular Properties

Compound NameN-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide
PubChem CID88594713
Molecular FormulaC14H15Cl2F4N3O
Molecular Weight388.19 g/mol
Exact Mass387.05
IUPAC NameN-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide
SMILESC=C/N=C/N(N)CC(COC(F)(F)C(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2F4N3O/c1-2-22-8-23(21)6-9(7-24-14(19,20)13(17)18)11-4-3-10(15)5-12(11)16/h2-5,8-9,13H,1,6-7,21H2/b22-8+
InChIKeyLJCKVPFKNWGUCG-GZIVZEMBSA-N
XLogP4.30
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.19
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide?
The IUPAC name of N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide (CID 88594713) is N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide.
What is the SMILES notation for N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide?
The canonical SMILES for N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide is C=C/N=C/N(N)CC(COC(F)(F)C(F)F)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide?
The InChIKey is LJCKVPFKNWGUCG-GZIVZEMBSA-N. The full InChI is InChI=1S/C14H15Cl2F4N3O/c1-2-22-8-23(21)6-9(7-24-14(19,20)13(17)18)11-4-3-10(15)5-12(11)16/h2-5,8-9,13H,1,6-7,21H2/b22-8+.
What are the key properties of N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide?
N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide has a molecular weight of 388.19 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-N'-ethenylmethanimidamide is sourced from PubChem (CID 88594713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).