3-fluoropropanimidamide

C3H7FN2 — CID 80698156

IUPAC3-fluoropropanimidamide
SMILES[H]/N=C(/N)CCF
InChIInChI=1S/C3H7FN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6)
InChIKeyMDTGZFLMCZPFNY-UHFFFAOYSA-N
MW90.10 g/mol
LogP0.28
Rot. Bonds2

About 3-fluoropropanimidamide

3-fluoropropanimidamide (PubChem CID 80698156) has the molecular formula C3H7FN2 and a molecular weight of 90.10 g/mol. Its IUPAC name is 3-fluoropropanimidamide.

Molecular Properties

Compound Name3-fluoropropanimidamide
PubChem CID80698156
Molecular FormulaC3H7FN2
Molecular Weight90.10 g/mol
Exact Mass90.06
IUPAC Name3-fluoropropanimidamide
SMILES[H]/N=C(/N)CCF
InChIInChI=1S/C3H7FN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6)
InChIKeyMDTGZFLMCZPFNY-UHFFFAOYSA-N
XLogP0.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 50.28
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'}

Analyze 3-fluoropropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoroethanimidamide hydrochloride
CID 42614316
3,3,3-Trifluoropropanimidamide hydrochloride
CID 44607844
2-Fluoroethanimidamide
CID 3562756
3,3,3-Trifluoropropanimidamide
CID 18511209
4,4,4-Trifluorobutanimidamide
CID 20132303
2-Fluoropropanimidamide
CID 115011027
2-Fluorobutanimidamide
CID 115011037
2-Fluoro-3-iminopropanimidamide
CID 123595313
3-Fluorobutanimidamide
CID 135244638
3,3-Difluoropropanimidamide
CID 60921770
4-Fluorobutanimidamide
CID 81106725
(2S)-2-fluoropropanimidamide
CID 129452970

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropanimidamide?
The IUPAC name of 3-fluoropropanimidamide (CID 80698156) is 3-fluoropropanimidamide.
What is the SMILES notation for 3-fluoropropanimidamide?
The canonical SMILES for 3-fluoropropanimidamide is [H]/N=C(/N)CCF.
What is the InChIKey of 3-fluoropropanimidamide?
The InChIKey is MDTGZFLMCZPFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6).
What are the key properties of 3-fluoropropanimidamide?
3-fluoropropanimidamide has a molecular weight of 90.10 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropanimidamide is sourced from PubChem (CID 80698156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).