6-fluorohexanoic acid

C6H11FO2 — CID 9736

IUPAC6-fluorohexanoic acid
SMILESO=C(O)CCCCCF
InChIInChI=1S/C6H11FO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChIKeyQDVPGZOKFHEOIW-UHFFFAOYSA-N
MW134.15 g/mol
LogP1.60
Rot. Bonds5

About 6-fluorohexanoic acid

6-fluorohexanoic acid (PubChem CID 9736) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is 6-fluorohexanoic acid.

Molecular Properties

Compound Name6-fluorohexanoic acid
PubChem CID9736
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name6-fluorohexanoic acid
SMILESO=C(O)CCCCCF
InChIInChI=1S/C6H11FO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChIKeyQDVPGZOKFHEOIW-UHFFFAOYSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluorohexanoic acid?
The IUPAC name of 6-fluorohexanoic acid (CID 9736) is 6-fluorohexanoic acid.
What is the SMILES notation for 6-fluorohexanoic acid?
The canonical SMILES for 6-fluorohexanoic acid is O=C(O)CCCCCF.
What is the InChIKey of 6-fluorohexanoic acid?
The InChIKey is QDVPGZOKFHEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9).
What are the key properties of 6-fluorohexanoic acid?
6-fluorohexanoic acid has a molecular weight of 134.15 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorohexanoic acid is sourced from PubChem (CID 9736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).