3-fluorobutanimidamide

C4H9FN2 — CID 135244638

IUPAC3-fluorobutanimidamide
SMILES[H]/N=C(\N)CC(C)F
InChIInChI=1S/C4H9FN2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H3,6,7)
InChIKeyOKRMKKFBDJCSGV-UHFFFAOYSA-N
MW104.13 g/mol
LogP0.67
Rot. Bonds2

About 3-fluorobutanimidamide

3-fluorobutanimidamide (PubChem CID 135244638) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is 3-fluorobutanimidamide.

Molecular Properties

Compound Name3-fluorobutanimidamide
PubChem CID135244638
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name3-fluorobutanimidamide
SMILES[H]/N=C(\N)CC(C)F
InChIInChI=1S/C4H9FN2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H3,6,7)
InChIKeyOKRMKKFBDJCSGV-UHFFFAOYSA-N
XLogP0.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 50.67
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-fluorobutanimidamide 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

Propionamidine hydrochloride
CID 415117
Butyramidine, hydrochloride
CID 18181
Butanimidamide hydrochloride
CID 12828983
Pentanimidamide
CID 4097830
Butanimidamide
CID 18182
4,4,4-Trifluorobutanimidamide hydrochloride
CID 71758218
1-Azanylpropylideneazanium
CID 6346752
Butanebis(imidamide)
CID 4386522
Amidinopropane dihydrochloride
CID 18758779
Acetimidoylacetamidine
CID 59122062
4,4,4-Trifluorobutanimidamide
CID 20132303
2-Fluoro-2-methylpropanimidamide
CID 55285265

Frequently Asked Questions

What is the IUPAC name of 3-fluorobutanimidamide?
The IUPAC name of 3-fluorobutanimidamide (CID 135244638) is 3-fluorobutanimidamide.
What is the SMILES notation for 3-fluorobutanimidamide?
The canonical SMILES for 3-fluorobutanimidamide is [H]/N=C(\N)CC(C)F.
What is the InChIKey of 3-fluorobutanimidamide?
The InChIKey is OKRMKKFBDJCSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H3,6,7).
What are the key properties of 3-fluorobutanimidamide?
3-fluorobutanimidamide has a molecular weight of 104.13 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobutanimidamide is sourced from PubChem (CID 135244638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).