1-fluoro-6-methoxyhexane

C7H15FO — CID 9615

IUPAC1-fluoro-6-methoxyhexane
SMILESCOCCCCCCF
InChIInChI=1S/C7H15FO/c1-9-7-5-3-2-4-6-8/h2-7H2,1H3
InChIKeyIRDWOWJPGRCPQK-UHFFFAOYSA-N
MW134.19 g/mol
LogP2.16
Rot. Bonds6

About 1-fluoro-6-methoxyhexane

1-fluoro-6-methoxyhexane (PubChem CID 9615) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is 1-fluoro-6-methoxyhexane.

Molecular Properties

Compound Name1-fluoro-6-methoxyhexane
PubChem CID9615
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name1-fluoro-6-methoxyhexane
SMILESCOCCCCCCF
InChIInChI=1S/C7H15FO/c1-9-7-5-3-2-4-6-8/h2-7H2,1H3
InChIKeyIRDWOWJPGRCPQK-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 52.16
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-fluoro-6-methoxyhexane?
The IUPAC name of 1-fluoro-6-methoxyhexane (CID 9615) is 1-fluoro-6-methoxyhexane.
What is the SMILES notation for 1-fluoro-6-methoxyhexane?
The canonical SMILES for 1-fluoro-6-methoxyhexane is COCCCCCCF.
What is the InChIKey of 1-fluoro-6-methoxyhexane?
The InChIKey is IRDWOWJPGRCPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO/c1-9-7-5-3-2-4-6-8/h2-7H2,1H3.
What are the key properties of 1-fluoro-6-methoxyhexane?
1-fluoro-6-methoxyhexane has a molecular weight of 134.19 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methoxyhexane is sourced from PubChem (CID 9615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).