6-fluorohexanamide

C6H12FNO — CID 12667

IUPAC6-fluorohexanamide
SMILESNC(=O)CCCCCF
InChIInChI=1S/C6H12FNO/c7-5-3-1-2-4-6(8)9/h1-5H2,(H2,8,9)
InChIKeyOYVQPNCDQBPJAC-UHFFFAOYSA-N
MW133.17 g/mol
LogP1.00
Rot. Bonds5

About 6-fluorohexanamide

6-fluorohexanamide (PubChem CID 12667) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 6-fluorohexanamide.

Molecular Properties

Compound Name6-fluorohexanamide
PubChem CID12667
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name6-fluorohexanamide
SMILESNC(=O)CCCCCF
InChIInChI=1S/C6H12FNO/c7-5-3-1-2-4-6(8)9/h1-5H2,(H2,8,9)
InChIKeyOYVQPNCDQBPJAC-UHFFFAOYSA-N
XLogP1.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 51.00
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-fluorohexanamide?
The IUPAC name of 6-fluorohexanamide (CID 12667) is 6-fluorohexanamide.
What is the SMILES notation for 6-fluorohexanamide?
The canonical SMILES for 6-fluorohexanamide is NC(=O)CCCCCF.
What is the InChIKey of 6-fluorohexanamide?
The InChIKey is OYVQPNCDQBPJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-5-3-1-2-4-6(8)9/h1-5H2,(H2,8,9).
What are the key properties of 6-fluorohexanamide?
6-fluorohexanamide has a molecular weight of 133.17 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorohexanamide is sourced from PubChem (CID 12667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).