2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol

C15H10F5N3O4 — CID 5188884

IUPAC2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(C=NNc2c(F)c(F)c(F)c(F)c2F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H10F5N3O4/c1-2-27-8-4-6(3-7(15(8)24)23(25)26)5-21-22-14-12(19)10(17)9(16)11(18)13(14)20/h3-5,22,24H,2H2,1H3
InChIKeyNFPJPGWPXVFYGK-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.84
Rot. Bonds6

About 2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol

2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 5188884) has the molecular formula C15H10F5N3O4 and a molecular weight of 391.25 g/mol. Its IUPAC name is 2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
PubChem CID5188884
Molecular FormulaC15H10F5N3O4
Molecular Weight391.25 g/mol
Exact Mass391.06
IUPAC Name2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(C=NNc2c(F)c(F)c(F)c(F)c2F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H10F5N3O4/c1-2-27-8-4-6(3-7(15(8)24)23(25)26)5-21-22-14-12(19)10(17)9(16)11(18)13(14)20/h3-5,22,24H,2H2,1H3
InChIKeyNFPJPGWPXVFYGK-UHFFFAOYSA-N
XLogP3.84
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol (CID 5188884) is 2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol is CCOc1cc(C=NNc2c(F)c(F)c(F)c(F)c2F)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is NFPJPGWPXVFYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N3O4/c1-2-27-8-4-6(3-7(15(8)24)23(25)26)5-21-22-14-12(19)10(17)9(16)11(18)13(14)20/h3-5,22,24H,2H2,1H3.
What are the key properties of 2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 391.25 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-nitro-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 5188884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).