5-fluoro-5-methoxyhexadecane

C17H35FO — CID 176907960

IUPAC5-fluoro-5-methoxyhexadecane
SMILESCCCCCCCCCCCC(F)(CCCC)OC
InChIInChI=1S/C17H35FO/c1-4-6-8-9-10-11-12-13-14-16-17(18,19-3)15-7-5-2/h4-16H2,1-3H3
InChIKeyFNLJNFMXRDPVRY-UHFFFAOYSA-N
MW274.46 g/mol
LogP6.41
Rot. Bonds14

About 5-fluoro-5-methoxyhexadecane

5-fluoro-5-methoxyhexadecane (PubChem CID 176907960) has the molecular formula C17H35FO and a molecular weight of 274.46 g/mol. Its IUPAC name is 5-fluoro-5-methoxyhexadecane.

Molecular Properties

Compound Name5-fluoro-5-methoxyhexadecane
PubChem CID176907960
Molecular FormulaC17H35FO
Molecular Weight274.46 g/mol
Exact Mass274.27
IUPAC Name5-fluoro-5-methoxyhexadecane
SMILESCCCCCCCCCCCC(F)(CCCC)OC
InChIInChI=1S/C17H35FO/c1-4-6-8-9-10-11-12-13-14-16-17(18,19-3)15-7-5-2/h4-16H2,1-3H3
InChIKeyFNLJNFMXRDPVRY-UHFFFAOYSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.46
LogP ≤ 56.41
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

11-methoxy-11-nonyltetracosane
CID 159441841
1,1,1-trimethoxytridecane
CID 102481821
1,1,1,2,2-pentafluorononadecane
CID 98452406
6-butyl-6-fluoroundecane
CID 11424735
1,1,1-trifluorohexadecane
CID 15685316
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
5-methyl-5-(trimethoxymethyl)tridecane
CID 150316109
1,1,1-trifluorooctane;trimethoxysilane
CID 175508235
1,1-dibromo-1-fluorohexane
CID 139643028
7-butyl-7-ethyltetradecane
CID 174665936
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
3-ethyl-3-methoxydecane
CID 89190150

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-methoxyhexadecane?
The IUPAC name of 5-fluoro-5-methoxyhexadecane (CID 176907960) is 5-fluoro-5-methoxyhexadecane.
What is the SMILES notation for 5-fluoro-5-methoxyhexadecane?
The canonical SMILES for 5-fluoro-5-methoxyhexadecane is CCCCCCCCCCCC(F)(CCCC)OC.
What is the InChIKey of 5-fluoro-5-methoxyhexadecane?
The InChIKey is FNLJNFMXRDPVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35FO/c1-4-6-8-9-10-11-12-13-14-16-17(18,19-3)15-7-5-2/h4-16H2,1-3H3.
What are the key properties of 5-fluoro-5-methoxyhexadecane?
5-fluoro-5-methoxyhexadecane has a molecular weight of 274.46 g/mol, XLogP of 6.41, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methoxyhexadecane is sourced from PubChem (CID 176907960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).