(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one

C18H7F5N2O — CID 9466512

IUPAC(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one
SMILESO=C1/C(=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cccc3cccc1c23
InChIInChI=1S/C18H7F5N2O/c19-11-12(20)14(22)17(15(23)13(11)21)25-24-16-8-5-1-3-7-4-2-6-9(10(7)8)18(16)26/h1-6,25H/b24-16-
InChIKeyFWJOZKSBJDTZDC-JLPGSUDCSA-N
MW362.26 g/mol
LogP4.55
Rot. Bonds2

About (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one

(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one (PubChem CID 9466512) has the molecular formula C18H7F5N2O and a molecular weight of 362.26 g/mol. Its IUPAC name is (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one.

Molecular Properties

Compound Name(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one
PubChem CID9466512
Molecular FormulaC18H7F5N2O
Molecular Weight362.26 g/mol
Exact Mass362.05
IUPAC Name(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one
SMILESO=C1/C(=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cccc3cccc1c23
InChIInChI=1S/C18H7F5N2O/c19-11-12(20)14(22)17(15(23)13(11)21)25-24-16-8-5-1-3-7-4-2-6-9(10(7)8)18(16)26/h1-6,25H/b24-16-
InChIKeyFWJOZKSBJDTZDC-JLPGSUDCSA-N
XLogP4.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one
CID 6509374
3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide
CID 2552582
2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one
CID 4272869
methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate
CID 2489180
2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6173888
2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6219304
3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide
CID 6218664
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide
CID 9156024
5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
CID 9297791
4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline
CID 174781230
2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6156122

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one?
The IUPAC name of (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one (CID 9466512) is (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one.
What is the SMILES notation for (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one?
The canonical SMILES for (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one is O=C1/C(=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cccc3cccc1c23.
What is the InChIKey of (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one?
The InChIKey is FWJOZKSBJDTZDC-JLPGSUDCSA-N. The full InChI is InChI=1S/C18H7F5N2O/c19-11-12(20)14(22)17(15(23)13(11)21)25-24-16-8-5-1-3-7-4-2-6-9(10(7)8)18(16)26/h1-6,25H/b24-16-.
What are the key properties of (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one?
(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one has a molecular weight of 362.26 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one is sourced from PubChem (CID 9466512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).