N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide

C9H7F5N2O2 — CID 76915183

IUPACN'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide
SMILESCC(Oc1c(F)c(F)c(F)c(F)c1F)C(N)=NO
InChIInChI=1S/C9H7F5N2O2/c1-2(9(15)16-17)18-8-6(13)4(11)3(10)5(12)7(8)14/h2,17H,1H3,(H2,15,16)
InChIKeyFHNFSTJBPAHFOO-UHFFFAOYSA-N
MW270.16 g/mol
LogP1.90
Rot. Bonds3

About N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide

N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide (PubChem CID 76915183) has the molecular formula C9H7F5N2O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide
PubChem CID76915183
Molecular FormulaC9H7F5N2O2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC NameN'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide
SMILESCC(Oc1c(F)c(F)c(F)c(F)c1F)C(N)=NO
InChIInChI=1S/C9H7F5N2O2/c1-2(9(15)16-17)18-8-6(13)4(11)3(10)5(12)7(8)14/h2,17H,1H3,(H2,15,16)
InChIKeyFHNFSTJBPAHFOO-UHFFFAOYSA-N
XLogP1.90
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide?
The IUPAC name of N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide (CID 76915183) is N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide is CC(Oc1c(F)c(F)c(F)c(F)c1F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide?
The InChIKey is FHNFSTJBPAHFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O2/c1-2(9(15)16-17)18-8-6(13)4(11)3(10)5(12)7(8)14/h2,17H,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide?
N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide has a molecular weight of 270.16 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide is sourced from PubChem (CID 76915183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).