8-fluorooctanoic acid

C8H15FO2 — CID 9616

IUPAC8-fluorooctanoic acid
SMILESO=C(O)CCCCCCCF
InChIInChI=1S/C8H15FO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
InChIKeySAEPUDOYZJDXEX-UHFFFAOYSA-N
MW162.20 g/mol
LogP2.38
Rot. Bonds7

About 8-fluorooctanoic acid

8-fluorooctanoic acid (PubChem CID 9616) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 8-fluorooctanoic acid.

Molecular Properties

Compound Name8-fluorooctanoic acid
PubChem CID9616
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name8-fluorooctanoic acid
SMILESO=C(O)CCCCCCCF
InChIInChI=1S/C8H15FO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
InChIKeySAEPUDOYZJDXEX-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-fluorooctanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

17-fluoroheptadecanoic acid
CID 13401115
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
25-fluoro-13-methylpentacosanoic acid
CID 89234036
18-fluoro-10-methyloctadecanoic acid
CID 10013

Frequently Asked Questions

What is the IUPAC name of 8-fluorooctanoic acid?
The IUPAC name of 8-fluorooctanoic acid (CID 9616) is 8-fluorooctanoic acid.
What is the SMILES notation for 8-fluorooctanoic acid?
The canonical SMILES for 8-fluorooctanoic acid is O=C(O)CCCCCCCF.
What is the InChIKey of 8-fluorooctanoic acid?
The InChIKey is SAEPUDOYZJDXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11).
What are the key properties of 8-fluorooctanoic acid?
8-fluorooctanoic acid has a molecular weight of 162.20 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorooctanoic acid is sourced from PubChem (CID 9616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).