2-fluorooctanamide

C8H16FNO — CID 88799012

IUPAC2-fluorooctanamide
SMILESCCCCCCC(F)C(N)=O
InChIInChI=1S/C8H16FNO/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyXXUXRBVWBZKVLC-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.78
Rot. Bonds6

About 2-fluorooctanamide

2-fluorooctanamide (PubChem CID 88799012) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-fluorooctanamide.

Molecular Properties

Compound Name2-fluorooctanamide
PubChem CID88799012
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-fluorooctanamide
SMILESCCCCCCC(F)C(N)=O
InChIInChI=1S/C8H16FNO/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyXXUXRBVWBZKVLC-UHFFFAOYSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.78
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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Related Compounds

Stearic acid amide
CID 31292
Hexadecanamide
CID 69421
Dodecanamide
CID 14256
Heptanamide
CID 136449
Tetradecanamide
CID 69492
Nonanamide
CID 70709
Docosanamide
CID 76468
Octanamide
CID 69414
Decanamide
CID 75347
Icosanamide
CID 3016647
Sebacamide
CID 72882
Tridecanamide
CID 4167542

Frequently Asked Questions

What is the IUPAC name of 2-fluorooctanamide?
The IUPAC name of 2-fluorooctanamide (CID 88799012) is 2-fluorooctanamide.
What is the SMILES notation for 2-fluorooctanamide?
The canonical SMILES for 2-fluorooctanamide is CCCCCCC(F)C(N)=O.
What is the InChIKey of 2-fluorooctanamide?
The InChIKey is XXUXRBVWBZKVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H2,10,11).
What are the key properties of 2-fluorooctanamide?
2-fluorooctanamide has a molecular weight of 161.22 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorooctanamide is sourced from PubChem (CID 88799012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).