N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide

C8H14F4N2O2 — CID 43175339

IUPACN'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide
SMILESCCC(C/C(N)=N/O)OCC(F)(F)C(F)F
InChIInChI=1S/C8H14F4N2O2/c1-2-5(3-6(13)14-15)16-4-8(11,12)7(9)10/h5,7,15H,2-4H2,1H3,(H2,13,14)
InChIKeyRXIXNOYGPUUYEG-UHFFFAOYSA-N
MW246.20 g/mol
LogP1.82
Rot. Bonds7

About N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide

N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide (PubChem CID 43175339) has the molecular formula C8H14F4N2O2 and a molecular weight of 246.20 g/mol. Its IUPAC name is N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide
PubChem CID43175339
Molecular FormulaC8H14F4N2O2
Molecular Weight246.20 g/mol
Exact Mass246.10
IUPAC NameN'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide
SMILESCCC(C/C(N)=N/O)OCC(F)(F)C(F)F
InChIInChI=1S/C8H14F4N2O2/c1-2-5(3-6(13)14-15)16-4-8(11,12)7(9)10/h5,7,15H,2-4H2,1H3,(H2,13,14)
InChIKeyRXIXNOYGPUUYEG-UHFFFAOYSA-N
XLogP1.82
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide (CID 43175339) is N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide is CCC(C/C(N)=N/O)OCC(F)(F)C(F)F.
What is the InChIKey of N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide?
The InChIKey is RXIXNOYGPUUYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4N2O2/c1-2-5(3-6(13)14-15)16-4-8(11,12)7(9)10/h5,7,15H,2-4H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide?
N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide has a molecular weight of 246.20 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide is sourced from PubChem (CID 43175339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).