17-fluoro-1-(4-methylpentoxy)octadecane

C24H49FO — CID 154961215

IUPAC17-fluoro-1-(4-methylpentoxy)octadecane
SMILESCC(C)CCCOCCCCCCCCCCCCCCCCC(C)F
InChIInChI=1S/C24H49FO/c1-23(2)19-18-22-26-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20-24(3)25/h23-24H,4-22H2,1-3H3
InChIKeyARDQMOSWQIYNRP-UHFFFAOYSA-N
MW372.65 g/mol
LogP8.65
Rot. Bonds21

About 17-fluoro-1-(4-methylpentoxy)octadecane

17-fluoro-1-(4-methylpentoxy)octadecane (PubChem CID 154961215) has the molecular formula C24H49FO and a molecular weight of 372.65 g/mol. Its IUPAC name is 17-fluoro-1-(4-methylpentoxy)octadecane.

Molecular Properties

Compound Name17-fluoro-1-(4-methylpentoxy)octadecane
PubChem CID154961215
Molecular FormulaC24H49FO
Molecular Weight372.65 g/mol
Exact Mass372.38
IUPAC Name17-fluoro-1-(4-methylpentoxy)octadecane
SMILESCC(C)CCCOCCCCCCCCCCCCCCCCC(C)F
InChIInChI=1S/C24H49FO/c1-23(2)19-18-22-26-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20-24(3)25/h23-24H,4-22H2,1-3H3
InChIKeyARDQMOSWQIYNRP-UHFFFAOYSA-N
XLogP8.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.65
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
1-butoxy-15-fluorohexadecane;ethane
CID 144858393
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
1-(6-bromohexoxy)-5-methylhexane
CID 19987541
(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
1-ethoxy-17-methyloctadecane
CID 91042875
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592

Frequently Asked Questions

What is the IUPAC name of 17-fluoro-1-(4-methylpentoxy)octadecane?
The IUPAC name of 17-fluoro-1-(4-methylpentoxy)octadecane (CID 154961215) is 17-fluoro-1-(4-methylpentoxy)octadecane.
What is the SMILES notation for 17-fluoro-1-(4-methylpentoxy)octadecane?
The canonical SMILES for 17-fluoro-1-(4-methylpentoxy)octadecane is CC(C)CCCOCCCCCCCCCCCCCCCCC(C)F.
What is the InChIKey of 17-fluoro-1-(4-methylpentoxy)octadecane?
The InChIKey is ARDQMOSWQIYNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49FO/c1-23(2)19-18-22-26-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20-24(3)25/h23-24H,4-22H2,1-3H3.
What are the key properties of 17-fluoro-1-(4-methylpentoxy)octadecane?
17-fluoro-1-(4-methylpentoxy)octadecane has a molecular weight of 372.65 g/mol, XLogP of 8.65, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-fluoro-1-(4-methylpentoxy)octadecane is sourced from PubChem (CID 154961215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).