2-fluoro-2-methylhexadecan-1-ol

C17H35FO — CID 139634379

IUPAC2-fluoro-2-methylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(C)(F)CO
InChIInChI=1S/C17H35FO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2,18)16-19/h19H,3-16H2,1-2H3
InChIKeyYJTPLTLMROFLHU-UHFFFAOYSA-N
MW274.46 g/mol
LogP5.80
Rot. Bonds14

About 2-fluoro-2-methylhexadecan-1-ol

2-fluoro-2-methylhexadecan-1-ol (PubChem CID 139634379) has the molecular formula C17H35FO and a molecular weight of 274.46 g/mol. Its IUPAC name is 2-fluoro-2-methylhexadecan-1-ol.

Molecular Properties

Compound Name2-fluoro-2-methylhexadecan-1-ol
PubChem CID139634379
Molecular FormulaC17H35FO
Molecular Weight274.46 g/mol
Exact Mass274.27
IUPAC Name2-fluoro-2-methylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(C)(F)CO
InChIInChI=1S/C17H35FO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2,18)16-19/h19H,3-16H2,1-2H3
InChIKeyYJTPLTLMROFLHU-UHFFFAOYSA-N
XLogP5.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-2-methylhexadecan-1-ol 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

2-ethyl-2-fluorodecan-1-ol
CID 87200056
2,2-difluorododecan-1-ol
CID 86222269
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
2,2-dimethyldecan-1-ol
CID 520069
2-methyl-2-pentylnonan-1-ol
CID 138503898
2-fluoro-2-(trifluoromethyl)undecan-1-ol
CID 19891405
6-fluoro-2,6-dimethylundecane
CID 155274662
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2,2-dioctyldecan-1-ol
CID 87374856
9-fluoropentacosan-9-ol
CID 139794548
2-amino-2-methylhexadecan-1-ol
CID 87201246

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylhexadecan-1-ol?
The IUPAC name of 2-fluoro-2-methylhexadecan-1-ol (CID 139634379) is 2-fluoro-2-methylhexadecan-1-ol.
What is the SMILES notation for 2-fluoro-2-methylhexadecan-1-ol?
The canonical SMILES for 2-fluoro-2-methylhexadecan-1-ol is CCCCCCCCCCCCCCC(C)(F)CO.
What is the InChIKey of 2-fluoro-2-methylhexadecan-1-ol?
The InChIKey is YJTPLTLMROFLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35FO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2,18)16-19/h19H,3-16H2,1-2H3.
What are the key properties of 2-fluoro-2-methylhexadecan-1-ol?
2-fluoro-2-methylhexadecan-1-ol has a molecular weight of 274.46 g/mol, XLogP of 5.80, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylhexadecan-1-ol is sourced from PubChem (CID 139634379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).