3-fluorohexanoyl chloride

C6H10ClFO — CID 87584281

IUPAC3-fluorohexanoyl chloride
SMILESCCCC(F)CC(=O)Cl
InChIInChI=1S/C6H10ClFO/c1-2-3-5(8)4-6(7)9/h5H,2-4H2,1H3
InChIKeyWZENJCGBHWIABP-UHFFFAOYSA-N
MW152.60 g/mol
LogP2.28
Rot. Bonds4

About 3-fluorohexanoyl chloride

3-fluorohexanoyl chloride (PubChem CID 87584281) has the molecular formula C6H10ClFO and a molecular weight of 152.60 g/mol. Its IUPAC name is 3-fluorohexanoyl chloride.

Molecular Properties

Compound Name3-fluorohexanoyl chloride
PubChem CID87584281
Molecular FormulaC6H10ClFO
Molecular Weight152.60 g/mol
Exact Mass152.04
IUPAC Name3-fluorohexanoyl chloride
SMILESCCCC(F)CC(=O)Cl
InChIInChI=1S/C6H10ClFO/c1-2-3-5(8)4-6(7)9/h5H,2-4H2,1H3
InChIKeyWZENJCGBHWIABP-UHFFFAOYSA-N
XLogP2.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.60
LogP ≤ 52.28
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 3-fluorohexanoyl chloride?
The IUPAC name of 3-fluorohexanoyl chloride (CID 87584281) is 3-fluorohexanoyl chloride.
What is the SMILES notation for 3-fluorohexanoyl chloride?
The canonical SMILES for 3-fluorohexanoyl chloride is CCCC(F)CC(=O)Cl.
What is the InChIKey of 3-fluorohexanoyl chloride?
The InChIKey is WZENJCGBHWIABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClFO/c1-2-3-5(8)4-6(7)9/h5H,2-4H2,1H3.
What are the key properties of 3-fluorohexanoyl chloride?
3-fluorohexanoyl chloride has a molecular weight of 152.60 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorohexanoyl chloride is sourced from PubChem (CID 87584281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).