2-fluoropentanoyl chloride

C5H8ClFO — CID 105428004

IUPAC2-fluoropentanoyl chloride
SMILESCCCC(F)C(=O)Cl
InChIInChI=1S/C5H8ClFO/c1-2-3-4(7)5(6)8/h4H,2-3H2,1H3
InChIKeyLIPHVFACIUHXMV-UHFFFAOYSA-N
MW138.57 g/mol
LogP1.89
Rot. Bonds3

About 2-fluoropentanoyl chloride

2-fluoropentanoyl chloride (PubChem CID 105428004) has the molecular formula C5H8ClFO and a molecular weight of 138.57 g/mol. Its IUPAC name is 2-fluoropentanoyl chloride.

Molecular Properties

Compound Name2-fluoropentanoyl chloride
PubChem CID105428004
Molecular FormulaC5H8ClFO
Molecular Weight138.57 g/mol
Exact Mass138.02
IUPAC Name2-fluoropentanoyl chloride
SMILESCCCC(F)C(=O)Cl
InChIInChI=1S/C5H8ClFO/c1-2-3-4(7)5(6)8/h4H,2-3H2,1H3
InChIKeyLIPHVFACIUHXMV-UHFFFAOYSA-N
XLogP1.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.57
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropentanoyl chloride?
The IUPAC name of 2-fluoropentanoyl chloride (CID 105428004) is 2-fluoropentanoyl chloride.
What is the SMILES notation for 2-fluoropentanoyl chloride?
The canonical SMILES for 2-fluoropentanoyl chloride is CCCC(F)C(=O)Cl.
What is the InChIKey of 2-fluoropentanoyl chloride?
The InChIKey is LIPHVFACIUHXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClFO/c1-2-3-4(7)5(6)8/h4H,2-3H2,1H3.
What are the key properties of 2-fluoropentanoyl chloride?
2-fluoropentanoyl chloride has a molecular weight of 138.57 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropentanoyl chloride is sourced from PubChem (CID 105428004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).