3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide

C10H12F2N2O2 — CID 114990882

IUPAC3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)Oc1cccc(F)c1F
InChIInChI=1S/C10H12F2N2O2/c1-6(5-9(13)14-15)16-8-4-2-3-7(11)10(8)12/h2-4,6,15H,5H2,1H3,(H2,13,14)
InChIKeyRRFMFJRCAQOVDH-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.87
Rot. Bonds4

About 3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide

3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide (PubChem CID 114990882) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide
PubChem CID114990882
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)Oc1cccc(F)c1F
InChIInChI=1S/C10H12F2N2O2/c1-6(5-9(13)14-15)16-8-4-2-3-7(11)10(8)12/h2-4,6,15H,5H2,1H3,(H2,13,14)
InChIKeyRRFMFJRCAQOVDH-UHFFFAOYSA-N
XLogP1.87
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.87
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'}

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Related Compounds

3-(2,3-difluorophenoxy)butanimidamide
CID 114988073
(3R)-3-(2,3-difluorophenoxy)butanoic acid
CID 94985896
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
2-(2,3-difluorophenoxy)propanamide
CID 63038540
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
methyl 2-amino-4-(2,3-difluorophenoxy)-2-methylpentanoate
CID 64721367
N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide
CID 114997084
2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
CID 74881969
N-[2-(2,3-difluorophenoxy)propyl]butan-1-amine
CID 55142850
2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111465552
4-(3-chloro-2-fluorophenoxy)pentan-2-one
CID 116689446
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide (CID 114990882) is 3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide is CC(CC(N)=NO)Oc1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide?
The InChIKey is RRFMFJRCAQOVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-6(5-9(13)14-15)16-8-4-2-3-7(11)10(8)12/h2-4,6,15H,5H2,1H3,(H2,13,14).
What are the key properties of 3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide?
3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide has a molecular weight of 230.21 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide is sourced from PubChem (CID 114990882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).