2-fluoro-3-phenylpropanimidamide

C9H11FN2 — CID 18356520

IUPAC2-fluoro-3-phenylpropanimidamide
SMILES[H]/N=C(\N)C(F)Cc1ccccc1
InChIInChI=1S/C9H11FN2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,11,12)
InChIKeyAZMMLGPUZXCYOU-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.50
Rot. Bonds3

About 2-fluoro-3-phenylpropanimidamide

2-fluoro-3-phenylpropanimidamide (PubChem CID 18356520) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-fluoro-3-phenylpropanimidamide.

Molecular Properties

Compound Name2-fluoro-3-phenylpropanimidamide
PubChem CID18356520
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name2-fluoro-3-phenylpropanimidamide
SMILES[H]/N=C(\N)C(F)Cc1ccccc1
InChIInChI=1S/C9H11FN2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,11,12)
InChIKeyAZMMLGPUZXCYOU-UHFFFAOYSA-N
XLogP1.50
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-fluoro-3-phenylpropanimidamide?
The IUPAC name of 2-fluoro-3-phenylpropanimidamide (CID 18356520) is 2-fluoro-3-phenylpropanimidamide.
What is the SMILES notation for 2-fluoro-3-phenylpropanimidamide?
The canonical SMILES for 2-fluoro-3-phenylpropanimidamide is [H]/N=C(\N)C(F)Cc1ccccc1.
What is the InChIKey of 2-fluoro-3-phenylpropanimidamide?
The InChIKey is AZMMLGPUZXCYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,11,12).
What are the key properties of 2-fluoro-3-phenylpropanimidamide?
2-fluoro-3-phenylpropanimidamide has a molecular weight of 166.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-phenylpropanimidamide is sourced from PubChem (CID 18356520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).