3-(2,3-difluorophenoxy)butanimidamide

C10H12F2N2O — CID 114988073

IUPAC3-(2,3-difluorophenoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)Oc1cccc(F)c1F
InChIInChI=1S/C10H12F2N2O/c1-6(5-9(13)14)15-8-4-2-3-7(11)10(8)12/h2-4,6H,5H2,1H3,(H3,13,14)
InChIKeyVNYGZKBJHVHWHN-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.06
Rot. Bonds4

About 3-(2,3-difluorophenoxy)butanimidamide

3-(2,3-difluorophenoxy)butanimidamide (PubChem CID 114988073) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2,3-difluorophenoxy)butanimidamide.

Molecular Properties

Compound Name3-(2,3-difluorophenoxy)butanimidamide
PubChem CID114988073
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name3-(2,3-difluorophenoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)Oc1cccc(F)c1F
InChIInChI=1S/C10H12F2N2O/c1-6(5-9(13)14)15-8-4-2-3-7(11)10(8)12/h2-4,6H,5H2,1H3,(H3,13,14)
InChIKeyVNYGZKBJHVHWHN-UHFFFAOYSA-N
XLogP2.06
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenoxy)butanimidamide?
The IUPAC name of 3-(2,3-difluorophenoxy)butanimidamide (CID 114988073) is 3-(2,3-difluorophenoxy)butanimidamide.
What is the SMILES notation for 3-(2,3-difluorophenoxy)butanimidamide?
The canonical SMILES for 3-(2,3-difluorophenoxy)butanimidamide is [H]/N=C(\N)CC(C)Oc1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenoxy)butanimidamide?
The InChIKey is VNYGZKBJHVHWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6(5-9(13)14)15-8-4-2-3-7(11)10(8)12/h2-4,6H,5H2,1H3,(H3,13,14).
What are the key properties of 3-(2,3-difluorophenoxy)butanimidamide?
3-(2,3-difluorophenoxy)butanimidamide has a molecular weight of 214.22 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenoxy)butanimidamide is sourced from PubChem (CID 114988073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).