4-fluorobutanimidamide

C4H9FN2 — CID 81106725

IUPAC4-fluorobutanimidamide
SMILES[H]/N=C(/N)CCCF
InChIInChI=1S/C4H9FN2/c5-3-1-2-4(6)7/h1-3H2,(H3,6,7)
InChIKeyHKUJPHKESMKHAP-UHFFFAOYSA-N
MW104.13 g/mol
LogP0.67
Rot. Bonds3

About 4-fluorobutanimidamide

4-fluorobutanimidamide (PubChem CID 81106725) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is 4-fluorobutanimidamide.

Molecular Properties

Compound Name4-fluorobutanimidamide
PubChem CID81106725
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name4-fluorobutanimidamide
SMILES[H]/N=C(/N)CCCF
InChIInChI=1S/C4H9FN2/c5-3-1-2-4(6)7/h1-3H2,(H3,6,7)
InChIKeyHKUJPHKESMKHAP-UHFFFAOYSA-N
XLogP0.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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'}

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Related Compounds

Butyramidine, hydrochloride
CID 18181
Butanimidamide hydrochloride
CID 12828983
Butanimidamide
CID 18182
4,4,4-Trifluorobutanimidamide hydrochloride
CID 71758218
Butanebis(imidamide)
CID 4386522
4,4,4-Trifluorobutanimidamide
CID 20132303
3-Fluoropropanimidamide
CID 80698156
4,4-Difluorobutanimidamide
CID 84731068
2-Fluoropropanimidamide
CID 115011027
2-Fluorobutanimidamide
CID 115011037
5,5,5-Trifluoropentanimidamide
CID 115514111
3,3,4,4,4-Pentafluorobutanimidamide
CID 131072941

Frequently Asked Questions

What is the IUPAC name of 4-fluorobutanimidamide?
The IUPAC name of 4-fluorobutanimidamide (CID 81106725) is 4-fluorobutanimidamide.
What is the SMILES notation for 4-fluorobutanimidamide?
The canonical SMILES for 4-fluorobutanimidamide is [H]/N=C(/N)CCCF.
What is the InChIKey of 4-fluorobutanimidamide?
The InChIKey is HKUJPHKESMKHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2/c5-3-1-2-4(6)7/h1-3H2,(H3,6,7).
What are the key properties of 4-fluorobutanimidamide?
4-fluorobutanimidamide has a molecular weight of 104.13 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobutanimidamide is sourced from PubChem (CID 81106725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).