2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C14H6F7N3O3 — CID 137060145

IUPAC2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1O
InChIInChI=1S/C14H6F7N3O3/c15-8-7(14(19,20)21)9(16)11(18)12(10(8)17)23-22-4-5-2-1-3-6(13(5)25)24(26)27/h1-4,23,25H/b22-4+
InChIKeyMHOHUOBMGLVFSU-LKNXVUQUSA-N
MW397.21 g/mol
LogP4.32
Rot. Bonds4

About 2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 137060145) has the molecular formula C14H6F7N3O3 and a molecular weight of 397.21 g/mol. Its IUPAC name is 2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID137060145
Molecular FormulaC14H6F7N3O3
Molecular Weight397.21 g/mol
Exact Mass397.03
IUPAC Name2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1O
InChIInChI=1S/C14H6F7N3O3/c15-8-7(14(19,20)21)9(16)11(18)12(10(8)17)23-22-4-5-2-1-3-6(13(5)25)24(26)27/h1-4,23,25H/b22-4+
InChIKeyMHOHUOBMGLVFSU-LKNXVUQUSA-N
XLogP4.32
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,6-dinitrophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 134108768
2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 5122448
2-(methyliminomethyl)-6-nitrophenol
CID 4779353
4-fluoro-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135455624
2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 4564059
3-fluoro-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 3759979
2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 5006377
2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135642279
2,3,5,6-tetrafluoro-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]-4-(trifluoromethyl)aniline
CID 2859728
2-[[[6-(4-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-nitrophenol
CID 3099787
2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
CID 9466475
3,4,5-trihydroxy-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 4863381

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 137060145) is 2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is O=[N+]([O-])c1cccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1O.
What is the InChIKey of 2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is MHOHUOBMGLVFSU-LKNXVUQUSA-N. The full InChI is InChI=1S/C14H6F7N3O3/c15-8-7(14(19,20)21)9(16)11(18)12(10(8)17)23-22-4-5-2-1-3-6(13(5)25)24(26)27/h1-4,23,25H/b22-4+.
What are the key properties of 2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 397.21 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137060145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).