1-butoxy-15-fluorohexadecane;ethane

C22H47FO — CID 144858393

IUPAC1-butoxy-15-fluorohexadecane;ethane
SMILESCC.CCCCOCCCCCCCCCCCCCCC(C)F
InChIInChI=1S/C20H41FO.C2H6/c1-3-4-18-22-19-16-14-12-10-8-6-5-7-9-11-13-15-17-20(2)21;1-2/h20H,3-19H2,1-2H3;1-2H3
InChIKeyLQJBBADBKQUKIT-UHFFFAOYSA-N
MW346.62 g/mol
LogP8.26
Rot. Bonds18

About 1-butoxy-15-fluorohexadecane;ethane

1-butoxy-15-fluorohexadecane;ethane (PubChem CID 144858393) has the molecular formula C22H47FO and a molecular weight of 346.62 g/mol. Its IUPAC name is 1-butoxy-15-fluorohexadecane;ethane.

Molecular Properties

Compound Name1-butoxy-15-fluorohexadecane;ethane
PubChem CID144858393
Molecular FormulaC22H47FO
Molecular Weight346.62 g/mol
Exact Mass346.36
IUPAC Name1-butoxy-15-fluorohexadecane;ethane
SMILESCC.CCCCOCCCCCCCCCCCCCCC(C)F
InChIInChI=1S/C20H41FO.C2H6/c1-3-4-18-22-19-16-14-12-10-8-6-5-7-9-11-13-15-17-20(2)21;1-2/h20H,3-19H2,1-2H3;1-2H3
InChIKeyLQJBBADBKQUKIT-UHFFFAOYSA-N
XLogP8.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.62
LogP ≤ 58.26
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

17-fluoro-1-(4-methylpentoxy)octadecane
CID 154961215
1-(2-butoxybutoxy)-17-fluorooctadecane
CID 126586663
2-fluorohenicosane
CID 91354486
9-fluoro-1-(9-fluoropentacosoxy)pentacosane
CID 175553006
22-butoxydocosan-2-ol
CID 88608244
1,19-dibutoxynonadecan-10-ol
CID 129293593
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-butoxydotriacontane
CID 91693232
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734
2,6-difluorooctadecane
CID 174393944
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-15-fluorohexadecane;ethane?
The IUPAC name of 1-butoxy-15-fluorohexadecane;ethane (CID 144858393) is 1-butoxy-15-fluorohexadecane;ethane.
What is the SMILES notation for 1-butoxy-15-fluorohexadecane;ethane?
The canonical SMILES for 1-butoxy-15-fluorohexadecane;ethane is CC.CCCCOCCCCCCCCCCCCCCC(C)F.
What is the InChIKey of 1-butoxy-15-fluorohexadecane;ethane?
The InChIKey is LQJBBADBKQUKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41FO.C2H6/c1-3-4-18-22-19-16-14-12-10-8-6-5-7-9-11-13-15-17-20(2)21;1-2/h20H,3-19H2,1-2H3;1-2H3.
What are the key properties of 1-butoxy-15-fluorohexadecane;ethane?
1-butoxy-15-fluorohexadecane;ethane has a molecular weight of 346.62 g/mol, XLogP of 8.26, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-15-fluorohexadecane;ethane is sourced from PubChem (CID 144858393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).