2-fluoro-N'-propylethanimidamide

C5H11FN2 — CID 54758326

IUPAC2-fluoro-N'-propylethanimidamide
SMILESCCC/N=C(/N)CF
InChIInChI=1S/C5H11FN2/c1-2-3-8-5(7)4-6/h2-4H2,1H3,(H2,7,8)
InChIKeySARPVRSDFMPZPF-UHFFFAOYSA-N
MW118.16 g/mol
LogP0.72
Rot. Bonds3

About 2-fluoro-N'-propylethanimidamide

2-fluoro-N'-propylethanimidamide (PubChem CID 54758326) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is 2-fluoro-N'-propylethanimidamide.

Molecular Properties

Compound Name2-fluoro-N'-propylethanimidamide
PubChem CID54758326
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name2-fluoro-N'-propylethanimidamide
SMILESCCC/N=C(/N)CF
InChIInChI=1S/C5H11FN2/c1-2-3-8-5(7)4-6/h2-4H2,1H3,(H2,7,8)
InChIKeySARPVRSDFMPZPF-UHFFFAOYSA-N
XLogP0.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
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-N'-propylethanimidamide?
The IUPAC name of 2-fluoro-N'-propylethanimidamide (CID 54758326) is 2-fluoro-N'-propylethanimidamide.
What is the SMILES notation for 2-fluoro-N'-propylethanimidamide?
The canonical SMILES for 2-fluoro-N'-propylethanimidamide is CCC/N=C(/N)CF.
What is the InChIKey of 2-fluoro-N'-propylethanimidamide?
The InChIKey is SARPVRSDFMPZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c1-2-3-8-5(7)4-6/h2-4H2,1H3,(H2,7,8).
What are the key properties of 2-fluoro-N'-propylethanimidamide?
2-fluoro-N'-propylethanimidamide has a molecular weight of 118.16 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-propylethanimidamide is sourced from PubChem (CID 54758326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).