7-fluoroheptanoic acid

C7H13FO2 — CID 9534

IUPAC7-fluoroheptanoic acid
SMILESO=C(O)CCCCCCF
InChIInChI=1S/C7H13FO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)
InChIKeyHCWNGLSFAHYVNL-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.99
Rot. Bonds6

About 7-fluoroheptanoic acid

7-fluoroheptanoic acid (PubChem CID 9534) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 7-fluoroheptanoic acid.

Molecular Properties

Compound Name7-fluoroheptanoic acid
PubChem CID9534
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name7-fluoroheptanoic acid
SMILESO=C(O)CCCCCCF
InChIInChI=1S/C7H13FO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)
InChIKeyHCWNGLSFAHYVNL-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.99
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 7-fluoroheptanoic acid?
The IUPAC name of 7-fluoroheptanoic acid (CID 9534) is 7-fluoroheptanoic acid.
What is the SMILES notation for 7-fluoroheptanoic acid?
The canonical SMILES for 7-fluoroheptanoic acid is O=C(O)CCCCCCF.
What is the InChIKey of 7-fluoroheptanoic acid?
The InChIKey is HCWNGLSFAHYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10).
What are the key properties of 7-fluoroheptanoic acid?
7-fluoroheptanoic acid has a molecular weight of 148.18 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoroheptanoic acid is sourced from PubChem (CID 9534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).