(NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine

C9H7F4NO2 — CID 59336367

IUPAC(NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C\c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C9H7F4NO2/c10-8(11)9(12,13)16-7-3-1-2-6(4-7)5-14-15/h1-5,8,15H/b14-5-
InChIKeyFWVKVGBZHTVWFR-RZNTYIFUSA-N
MW237.15 g/mol
LogP2.73
Rot. Bonds4

About (NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine

(NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 59336367) has the molecular formula C9H7F4NO2 and a molecular weight of 237.15 g/mol. Its IUPAC name is (NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine
PubChem CID59336367
Molecular FormulaC9H7F4NO2
Molecular Weight237.15 g/mol
Exact Mass237.04
IUPAC Name(NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C\c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C9H7F4NO2/c10-8(11)9(12,13)16-7-3-1-2-6(4-7)5-14-15/h1-5,8,15H/b14-5-
InChIKeyFWVKVGBZHTVWFR-RZNTYIFUSA-N
XLogP2.73
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine (CID 59336367) is (NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine is O/N=C\c1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of (NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is FWVKVGBZHTVWFR-RZNTYIFUSA-N. The full InChI is InChI=1S/C9H7F4NO2/c10-8(11)9(12,13)16-7-3-1-2-6(4-7)5-14-15/h1-5,8,15H/b14-5-.
What are the key properties of (NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine?
(NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 237.15 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 59336367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).