2-fluoro-3-iminopropanimidamide

C3H6FN3 — CID 123595313

IUPAC2-fluoro-3-iminopropanimidamide
SMILES[H]/N=C(\N)C(F)/C=N/[H]
InChIInChI=1S/C3H6FN3/c4-2(1-5)3(6)7/h1-2,5H,(H3,6,7)/b5-1+
InChIKeyWRPGDEYQUWNJCS-ORCRQEGFSA-N
MW103.10 g/mol
LogP-0.09
Rot. Bonds2

About 2-fluoro-3-iminopropanimidamide

2-fluoro-3-iminopropanimidamide (PubChem CID 123595313) has the molecular formula C3H6FN3 and a molecular weight of 103.10 g/mol. Its IUPAC name is 2-fluoro-3-iminopropanimidamide.

Molecular Properties

Compound Name2-fluoro-3-iminopropanimidamide
PubChem CID123595313
Molecular FormulaC3H6FN3
Molecular Weight103.10 g/mol
Exact Mass103.05
IUPAC Name2-fluoro-3-iminopropanimidamide
SMILES[H]/N=C(\N)C(F)/C=N/[H]
InChIInChI=1S/C3H6FN3/c4-2(1-5)3(6)7/h1-2,5H,(H3,6,7)/b5-1+
InChIKeyWRPGDEYQUWNJCS-ORCRQEGFSA-N
XLogP-0.09
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
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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Related Compounds

3-Fluoropropanimidamide
CID 80698156
3-(2-Fluoroethylimino)propanimidamide
CID 123564220
2-Iminoethanimidamide
CID 18363766
3-Iminopropanimidamide
CID 54176967

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iminopropanimidamide?
The IUPAC name of 2-fluoro-3-iminopropanimidamide (CID 123595313) is 2-fluoro-3-iminopropanimidamide.
What is the SMILES notation for 2-fluoro-3-iminopropanimidamide?
The canonical SMILES for 2-fluoro-3-iminopropanimidamide is [H]/N=C(\N)C(F)/C=N/[H].
What is the InChIKey of 2-fluoro-3-iminopropanimidamide?
The InChIKey is WRPGDEYQUWNJCS-ORCRQEGFSA-N. The full InChI is InChI=1S/C3H6FN3/c4-2(1-5)3(6)7/h1-2,5H,(H3,6,7)/b5-1+.
What are the key properties of 2-fluoro-3-iminopropanimidamide?
2-fluoro-3-iminopropanimidamide has a molecular weight of 103.10 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iminopropanimidamide is sourced from PubChem (CID 123595313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).