17-fluoroheptadecanoic acid

C17H33FO2 — CID 13401115

IUPAC17-fluoroheptadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCF
InChIInChI=1S/C17H33FO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)
InChIKeyFFQYRKHIQICILB-UHFFFAOYSA-N
MW288.45 g/mol
LogP5.89
Rot. Bonds16

About 17-fluoroheptadecanoic acid

17-fluoroheptadecanoic acid (PubChem CID 13401115) has the molecular formula C17H33FO2 and a molecular weight of 288.45 g/mol. Its IUPAC name is 17-fluoroheptadecanoic acid.

Molecular Properties

Compound Name17-fluoroheptadecanoic acid
PubChem CID13401115
Molecular FormulaC17H33FO2
Molecular Weight288.45 g/mol
Exact Mass288.25
IUPAC Name17-fluoroheptadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCF
InChIInChI=1S/C17H33FO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)
InChIKeyFFQYRKHIQICILB-UHFFFAOYSA-N
XLogP5.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.45
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 17-fluoroheptadecanoic 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

8-fluorooctanoic acid
CID 9616
heptadecanedioic acid
CID 3083765
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
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 17-fluoroheptadecanoic acid?
The IUPAC name of 17-fluoroheptadecanoic acid (CID 13401115) is 17-fluoroheptadecanoic acid.
What is the SMILES notation for 17-fluoroheptadecanoic acid?
The canonical SMILES for 17-fluoroheptadecanoic acid is O=C(O)CCCCCCCCCCCCCCCCF.
What is the InChIKey of 17-fluoroheptadecanoic acid?
The InChIKey is FFQYRKHIQICILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20).
What are the key properties of 17-fluoroheptadecanoic acid?
17-fluoroheptadecanoic acid has a molecular weight of 288.45 g/mol, XLogP of 5.89, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-fluoroheptadecanoic acid is sourced from PubChem (CID 13401115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).