(NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine

C14H7ClF5NO2 — CID 88727397

IUPAC(NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine
SMILESO/N=C\c1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1F
InChIInChI=1S/C14H7ClF5NO2/c15-10-4-8(14(18,19)20)5-12(17)13(10)23-9-1-2-11(16)7(3-9)6-21-22/h1-6,22H/b21-6-
InChIKeyZIWDVEVYLQITEQ-MPUCSWFWSA-N
MW351.66 g/mol
LogP5.24
Rot. Bonds3

About (NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine

(NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine (PubChem CID 88727397) has the molecular formula C14H7ClF5NO2 and a molecular weight of 351.66 g/mol. Its IUPAC name is (NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine
PubChem CID88727397
Molecular FormulaC14H7ClF5NO2
Molecular Weight351.66 g/mol
Exact Mass351.01
IUPAC Name(NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine
SMILESO/N=C\c1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1F
InChIInChI=1S/C14H7ClF5NO2/c15-10-4-8(14(18,19)20)5-12(17)13(10)23-9-1-2-11(16)7(3-9)6-21-22/h1-6,22H/b21-6-
InChIKeyZIWDVEVYLQITEQ-MPUCSWFWSA-N
XLogP5.24
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 55.24
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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine (CID 88727397) is (NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine is O/N=C\c1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1F.
What is the InChIKey of (NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine?
The InChIKey is ZIWDVEVYLQITEQ-MPUCSWFWSA-N. The full InChI is InChI=1S/C14H7ClF5NO2/c15-10-4-8(14(18,19)20)5-12(17)13(10)23-9-1-2-11(16)7(3-9)6-21-22/h1-6,22H/b21-6-.
What are the key properties of (NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine?
(NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine has a molecular weight of 351.66 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine is sourced from PubChem (CID 88727397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).