(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine

C9H8F3NO3 — CID 26596685

IUPAC(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
SMILESCOc1ccc(OC(F)(F)F)cc1/C=N\O
InChIInChI=1S/C9H8F3NO3/c1-15-8-3-2-7(16-9(10,11)12)4-6(8)5-13-14/h2-5,14H,1H3/b13-5-
InChIKeyJUUIIBQGDYBQIC-ACAGNQJTSA-N
MW235.16 g/mol
LogP2.40
Rot. Bonds3

About (NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine

(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 26596685) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is (NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
PubChem CID26596685
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
SMILESCOc1ccc(OC(F)(F)F)cc1/C=N\O
InChIInChI=1S/C9H8F3NO3/c1-15-8-3-2-7(16-9(10,11)12)4-6(8)5-13-14/h2-5,14H,1H3/b13-5-
InChIKeyJUUIIBQGDYBQIC-ACAGNQJTSA-N
XLogP2.40
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene
CID 141369705
(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 90156005
1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628638
[2-methoxy-5-(trifluoromethoxy)phenyl]azanide
CID 158966007
3-[(Z)-hydroxyiminomethyl]-4-methoxybenzonitrile
CID 87293148
ethane;(NE)-N-[[3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 171091545
1-iodo-2-methoxy-4-(trifluoromethoxy)benzene
CID 53415972
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol
CID 171269353
methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997187
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(E)-[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]amino]ethanol
CID 177250862

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine (CID 26596685) is (NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine is COc1ccc(OC(F)(F)F)cc1/C=N\O.
What is the InChIKey of (NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is JUUIIBQGDYBQIC-ACAGNQJTSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-15-8-3-2-7(16-9(10,11)12)4-6(8)5-13-14/h2-5,14H,1H3/b13-5-.
What are the key properties of (NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 235.16 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 26596685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).