(NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine

C9H8F3NO — CID 11579322

IUPAC(NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO/c1-6-2-4-7(5-3-6)8(13-14)9(10,11)12/h2-5,14H,1H3/b13-8-
InChIKeyHWQOIGLJELXUJT-JYRVWZFOSA-N
MW203.16 g/mol
LogP2.74
Rot. Bonds1

About (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine

(NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine (PubChem CID 11579322) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine
PubChem CID11579322
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name(NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO/c1-6-2-4-7(5-3-6)8(13-14)9(10,11)12/h2-5,14H,1H3/b13-8-
InChIKeyHWQOIGLJELXUJT-JYRVWZFOSA-N
XLogP2.74
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

Acetophenone oxime
CID 5464950
A-967079
CID 42641861
Benzophenone oxime
CID 11324
Benzil dioxime
CID 135405330
Acetophenonoxime
CID 69185
Ethanone, 1,2-diphenyl-, oxime
CID 5355453
Diphenylglyoxime
CID 135419028
(3E)-2-(hydroxyimino)-4-phenylbut-3-ene
CID 5324273
4'-Fluoroacetophenone oxime
CID 5382861
5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one oxime
CID 18462343
Benzophenone, O-methyloxime
CID 247342
gamma-Benzil dioxime
CID 135408737

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine (CID 11579322) is (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine is Cc1ccc(/C(=N/O)C(F)(F)F)cc1.
What is the InChIKey of (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine?
The InChIKey is HWQOIGLJELXUJT-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-6-2-4-7(5-3-6)8(13-14)9(10,11)12/h2-5,14H,1H3/b13-8-.
What are the key properties of (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine?
(NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine has a molecular weight of 203.16 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 11579322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).