1-fluoro-6-methylheptadecan-6-ol

C18H37FO — CID 139609322

IUPAC1-fluoro-6-methylheptadecan-6-ol
SMILESCCCCCCCCCCCC(C)(O)CCCCCF
InChIInChI=1S/C18H37FO/c1-3-4-5-6-7-8-9-10-12-15-18(2,20)16-13-11-14-17-19/h20H,3-17H2,1-2H3
InChIKeyBMOUGNXFACXHRG-UHFFFAOYSA-N
MW288.49 g/mol
LogP6.19
Rot. Bonds15

About 1-fluoro-6-methylheptadecan-6-ol

1-fluoro-6-methylheptadecan-6-ol (PubChem CID 139609322) has the molecular formula C18H37FO and a molecular weight of 288.49 g/mol. Its IUPAC name is 1-fluoro-6-methylheptadecan-6-ol.

Molecular Properties

Compound Name1-fluoro-6-methylheptadecan-6-ol
PubChem CID139609322
Molecular FormulaC18H37FO
Molecular Weight288.49 g/mol
Exact Mass288.28
IUPAC Name1-fluoro-6-methylheptadecan-6-ol
SMILESCCCCCCCCCCCC(C)(O)CCCCCF
InChIInChI=1S/C18H37FO/c1-3-4-5-6-7-8-9-10-12-15-18(2,20)16-13-11-14-17-19/h20H,3-17H2,1-2H3
InChIKeyBMOUGNXFACXHRG-UHFFFAOYSA-N
XLogP6.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.49
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-fluoro-6-methylheptadecan-6-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-methylheptadecan-6-ol?
The IUPAC name of 1-fluoro-6-methylheptadecan-6-ol (CID 139609322) is 1-fluoro-6-methylheptadecan-6-ol.
What is the SMILES notation for 1-fluoro-6-methylheptadecan-6-ol?
The canonical SMILES for 1-fluoro-6-methylheptadecan-6-ol is CCCCCCCCCCCC(C)(O)CCCCCF.
What is the InChIKey of 1-fluoro-6-methylheptadecan-6-ol?
The InChIKey is BMOUGNXFACXHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37FO/c1-3-4-5-6-7-8-9-10-12-15-18(2,20)16-13-11-14-17-19/h20H,3-17H2,1-2H3.
What are the key properties of 1-fluoro-6-methylheptadecan-6-ol?
1-fluoro-6-methylheptadecan-6-ol has a molecular weight of 288.49 g/mol, XLogP of 6.19, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methylheptadecan-6-ol is sourced from PubChem (CID 139609322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).