4-fluoropentanimidamide

C5H11FN2 — CID 105427143

IUPAC4-fluoropentanimidamide
SMILES[H]/N=C(\N)CCC(C)F
InChIInChI=1S/C5H11FN2/c1-4(6)2-3-5(7)8/h4H,2-3H2,1H3,(H3,7,8)
InChIKeyWATPHZADBXDKNH-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.06
Rot. Bonds3

About 4-fluoropentanimidamide

4-fluoropentanimidamide (PubChem CID 105427143) has the molecular formula C5H11FN2 and a molecular weight of 118.15 g/mol. Its IUPAC name is 4-fluoropentanimidamide.

Molecular Properties

Compound Name4-fluoropentanimidamide
PubChem CID105427143
Molecular FormulaC5H11FN2
Molecular Weight118.15 g/mol
Exact Mass118.09
IUPAC Name4-fluoropentanimidamide
SMILES[H]/N=C(\N)CCC(C)F
InChIInChI=1S/C5H11FN2/c1-4(6)2-3-5(7)8/h4H,2-3H2,1H3,(H3,7,8)
InChIKeyWATPHZADBXDKNH-UHFFFAOYSA-N
XLogP1.06
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoropentanimidamide?
The IUPAC name of 4-fluoropentanimidamide (CID 105427143) is 4-fluoropentanimidamide.
What is the SMILES notation for 4-fluoropentanimidamide?
The canonical SMILES for 4-fluoropentanimidamide is [H]/N=C(\N)CCC(C)F.
What is the InChIKey of 4-fluoropentanimidamide?
The InChIKey is WATPHZADBXDKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c1-4(6)2-3-5(7)8/h4H,2-3H2,1H3,(H3,7,8).
What are the key properties of 4-fluoropentanimidamide?
4-fluoropentanimidamide has a molecular weight of 118.15 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropentanimidamide is sourced from PubChem (CID 105427143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).