14-fluoro-13-hydroxytetradecanoic acid

C14H27FO3 — CID 101029960

IUPAC14-fluoro-13-hydroxytetradecanoic acid
SMILESO=C(O)CCCCCCCCCCCC(O)CF
InChIInChI=1S/C14H27FO3/c15-12-13(16)10-8-6-4-2-1-3-5-7-9-11-14(17)18/h13,16H,1-12H2,(H,17,18)
InChIKeyZOOZIYLGNOFKKN-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.69
Rot. Bonds13

About 14-fluoro-13-hydroxytetradecanoic acid

14-fluoro-13-hydroxytetradecanoic acid (PubChem CID 101029960) has the molecular formula C14H27FO3 and a molecular weight of 262.36 g/mol. Its IUPAC name is 14-fluoro-13-hydroxytetradecanoic acid.

Molecular Properties

Compound Name14-fluoro-13-hydroxytetradecanoic acid
PubChem CID101029960
Molecular FormulaC14H27FO3
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name14-fluoro-13-hydroxytetradecanoic acid
SMILESO=C(O)CCCCCCCCCCCC(O)CF
InChIInChI=1S/C14H27FO3/c15-12-13(16)10-8-6-4-2-1-3-5-7-9-11-14(17)18/h13,16H,1-12H2,(H,17,18)
InChIKeyZOOZIYLGNOFKKN-UHFFFAOYSA-N
XLogP3.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxytridecanedioic acid
CID 139805426
15-hydroxyheptadecanoic acid
CID 14454507
27-hydroxynonacosanoic acid
CID 169277027
18,19-dihydroxynonadecanoic acid
CID 87167042
3-hydroxyheptadecanedioic acid
CID 23052244
3-hydroxydodecanedioic acid
CID 16663321
(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
20-hydroxyhenicosanoic acid
CID 19591814
3-hydroxyoctanedioic acid
CID 22328017
19-hydroxyicosanoic acid
CID 14535566
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyoctacosanoic acid
CID 169277392

Frequently Asked Questions

What is the IUPAC name of 14-fluoro-13-hydroxytetradecanoic acid?
The IUPAC name of 14-fluoro-13-hydroxytetradecanoic acid (CID 101029960) is 14-fluoro-13-hydroxytetradecanoic acid.
What is the SMILES notation for 14-fluoro-13-hydroxytetradecanoic acid?
The canonical SMILES for 14-fluoro-13-hydroxytetradecanoic acid is O=C(O)CCCCCCCCCCCC(O)CF.
What is the InChIKey of 14-fluoro-13-hydroxytetradecanoic acid?
The InChIKey is ZOOZIYLGNOFKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO3/c15-12-13(16)10-8-6-4-2-1-3-5-7-9-11-14(17)18/h13,16H,1-12H2,(H,17,18).
What are the key properties of 14-fluoro-13-hydroxytetradecanoic acid?
14-fluoro-13-hydroxytetradecanoic acid has a molecular weight of 262.36 g/mol, XLogP of 3.69, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-13-hydroxytetradecanoic acid is sourced from PubChem (CID 101029960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).