(NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine

C9H6F3N3O4 — CID 135501929

IUPAC(NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(C(=N/O)/C(=N/O)C(F)(F)F)cc1
InChIInChI=1S/C9H6F3N3O4/c10-9(11,12)8(14-17)7(13-16)5-1-3-6(4-2-5)15(18)19/h1-4,16-17H/b13-7-,14-8-
InChIKeyZLPSTZCVIKHHOE-PVRNWPCDSA-N
MW277.16 g/mol
LogP2.17
Rot. Bonds3

About (NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine

(NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine (PubChem CID 135501929) has the molecular formula C9H6F3N3O4 and a molecular weight of 277.16 g/mol. Its IUPAC name is (NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine
PubChem CID135501929
Molecular FormulaC9H6F3N3O4
Molecular Weight277.16 g/mol
Exact Mass277.03
IUPAC Name(NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(C(=N/O)/C(=N/O)C(F)(F)F)cc1
InChIInChI=1S/C9H6F3N3O4/c10-9(11,12)8(14-17)7(13-16)5-1-3-6(4-2-5)15(18)19/h1-4,16-17H/b13-7-,14-8-
InChIKeyZLPSTZCVIKHHOE-PVRNWPCDSA-N
XLogP2.17
TPSA108.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
CID 86222058
(NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 10610605
1,4-dinitrobenzene;nitrous acid
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cesium;hydride;4-nitrobenzoic acid
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(NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137126520
4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione
CID 11065204
2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one
CID 142723020
4-nitrobenzoic acid;2,2,2-trifluoroethanol
CID 71404405
1-(1-fluoroethenyl)-4-nitrobenzene
CID 11205987
(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine;phosphane
CID 172951383
1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene
CID 10387830
4-nitrobenzoic acid;trimethylsilane
CID 175438853

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine (CID 135501929) is (NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine is O=[N+]([O-])c1ccc(C(=N/O)/C(=N/O)C(F)(F)F)cc1.
What is the InChIKey of (NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is ZLPSTZCVIKHHOE-PVRNWPCDSA-N. The full InChI is InChI=1S/C9H6F3N3O4/c10-9(11,12)8(14-17)7(13-16)5-1-3-6(4-2-5)15(18)19/h1-4,16-17H/b13-7-,14-8-.
What are the key properties of (NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine?
(NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 277.16 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135501929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).