1-(fluoromethoxy)-6-propylundecane

C15H31FO — CID 174370706

IUPAC1-(fluoromethoxy)-6-propylundecane
SMILESCCCCCC(CCC)CCCCCOCF
InChIInChI=1S/C15H31FO/c1-3-5-7-11-15(10-4-2)12-8-6-9-13-17-14-16/h15H,3-14H2,1-2H3
InChIKeyRUOQLZNJEGZTHU-UHFFFAOYSA-N
MW246.41 g/mol
LogP5.49
Rot. Bonds13

About 1-(fluoromethoxy)-6-propylundecane

1-(fluoromethoxy)-6-propylundecane (PubChem CID 174370706) has the molecular formula C15H31FO and a molecular weight of 246.41 g/mol. Its IUPAC name is 1-(fluoromethoxy)-6-propylundecane.

Molecular Properties

Compound Name1-(fluoromethoxy)-6-propylundecane
PubChem CID174370706
Molecular FormulaC15H31FO
Molecular Weight246.41 g/mol
Exact Mass246.24
IUPAC Name1-(fluoromethoxy)-6-propylundecane
SMILESCCCCCC(CCC)CCCCCOCF
InChIInChI=1S/C15H31FO/c1-3-5-7-11-15(10-4-2)12-8-6-9-13-17-14-16/h15H,3-14H2,1-2H3
InChIKeyRUOQLZNJEGZTHU-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.41
LogP ≤ 55.49
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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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-6-propylundecane?
The IUPAC name of 1-(fluoromethoxy)-6-propylundecane (CID 174370706) is 1-(fluoromethoxy)-6-propylundecane.
What is the SMILES notation for 1-(fluoromethoxy)-6-propylundecane?
The canonical SMILES for 1-(fluoromethoxy)-6-propylundecane is CCCCCC(CCC)CCCCCOCF.
What is the InChIKey of 1-(fluoromethoxy)-6-propylundecane?
The InChIKey is RUOQLZNJEGZTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FO/c1-3-5-7-11-15(10-4-2)12-8-6-9-13-17-14-16/h15H,3-14H2,1-2H3.
What are the key properties of 1-(fluoromethoxy)-6-propylundecane?
1-(fluoromethoxy)-6-propylundecane has a molecular weight of 246.41 g/mol, XLogP of 5.49, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-6-propylundecane is sourced from PubChem (CID 174370706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).