1-(fluoromethoxy)-6-propylnonane

C13H27FO — CID 174370053

IUPAC1-(fluoromethoxy)-6-propylnonane
SMILESCCCC(CCC)CCCCCOCF
InChIInChI=1S/C13H27FO/c1-3-8-13(9-4-2)10-6-5-7-11-15-12-14/h13H,3-12H2,1-2H3
InChIKeyVCONDAOKGCJJJH-UHFFFAOYSA-N
MW218.36 g/mol
LogP4.71
Rot. Bonds11

About 1-(fluoromethoxy)-6-propylnonane

1-(fluoromethoxy)-6-propylnonane (PubChem CID 174370053) has the molecular formula C13H27FO and a molecular weight of 218.36 g/mol. Its IUPAC name is 1-(fluoromethoxy)-6-propylnonane.

Molecular Properties

Compound Name1-(fluoromethoxy)-6-propylnonane
PubChem CID174370053
Molecular FormulaC13H27FO
Molecular Weight218.36 g/mol
Exact Mass218.20
IUPAC Name1-(fluoromethoxy)-6-propylnonane
SMILESCCCC(CCC)CCCCCOCF
InChIInChI=1S/C13H27FO/c1-3-8-13(9-4-2)10-6-5-7-11-15-12-14/h13H,3-12H2,1-2H3
InChIKeyVCONDAOKGCJJJH-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 54.71
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-propylnonane?
The IUPAC name of 1-(fluoromethoxy)-6-propylnonane (CID 174370053) is 1-(fluoromethoxy)-6-propylnonane.
What is the SMILES notation for 1-(fluoromethoxy)-6-propylnonane?
The canonical SMILES for 1-(fluoromethoxy)-6-propylnonane is CCCC(CCC)CCCCCOCF.
What is the InChIKey of 1-(fluoromethoxy)-6-propylnonane?
The InChIKey is VCONDAOKGCJJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FO/c1-3-8-13(9-4-2)10-6-5-7-11-15-12-14/h13H,3-12H2,1-2H3.
What are the key properties of 1-(fluoromethoxy)-6-propylnonane?
1-(fluoromethoxy)-6-propylnonane has a molecular weight of 218.36 g/mol, XLogP of 4.71, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-6-propylnonane is sourced from PubChem (CID 174370053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).