1-fluoro-8-methyltricosan-8-ol

C24H49FO — CID 139609323

IUPAC1-fluoro-8-methyltricosan-8-ol
SMILESCCCCCCCCCCCCCCCC(C)(O)CCCCCCCF
InChIInChI=1S/C24H49FO/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24(2,26)22-19-16-14-17-20-23-25/h26H,3-23H2,1-2H3
InChIKeyKCIZEIXERBJHCR-UHFFFAOYSA-N
MW372.65 g/mol
LogP8.53
Rot. Bonds21

About 1-fluoro-8-methyltricosan-8-ol

1-fluoro-8-methyltricosan-8-ol (PubChem CID 139609323) has the molecular formula C24H49FO and a molecular weight of 372.65 g/mol. Its IUPAC name is 1-fluoro-8-methyltricosan-8-ol.

Molecular Properties

Compound Name1-fluoro-8-methyltricosan-8-ol
PubChem CID139609323
Molecular FormulaC24H49FO
Molecular Weight372.65 g/mol
Exact Mass372.38
IUPAC Name1-fluoro-8-methyltricosan-8-ol
SMILESCCCCCCCCCCCCCCCC(C)(O)CCCCCCCF
InChIInChI=1S/C24H49FO/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24(2,26)22-19-16-14-17-20-23-25/h26H,3-23H2,1-2H3
InChIKeyKCIZEIXERBJHCR-UHFFFAOYSA-N
XLogP8.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.65
LogP ≤ 58.53
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 1-fluoro-8-methyltricosan-8-ol?
The IUPAC name of 1-fluoro-8-methyltricosan-8-ol (CID 139609323) is 1-fluoro-8-methyltricosan-8-ol.
What is the SMILES notation for 1-fluoro-8-methyltricosan-8-ol?
The canonical SMILES for 1-fluoro-8-methyltricosan-8-ol is CCCCCCCCCCCCCCCC(C)(O)CCCCCCCF.
What is the InChIKey of 1-fluoro-8-methyltricosan-8-ol?
The InChIKey is KCIZEIXERBJHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49FO/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24(2,26)22-19-16-14-17-20-23-25/h26H,3-23H2,1-2H3.
What are the key properties of 1-fluoro-8-methyltricosan-8-ol?
1-fluoro-8-methyltricosan-8-ol has a molecular weight of 372.65 g/mol, XLogP of 8.53, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-8-methyltricosan-8-ol is sourced from PubChem (CID 139609323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).