4-fluoro-3-methoxyoctane

C9H19FO — CID 54495180

IUPAC4-fluoro-3-methoxyoctane
SMILESCCCCC(F)C(CC)OC
InChIInChI=1S/C9H19FO/c1-4-6-7-8(10)9(5-2)11-3/h8-9H,4-7H2,1-3H3
InChIKeyMLSOIFXDBHBYIH-UHFFFAOYSA-N
MW162.25 g/mol
LogP2.94
Rot. Bonds6

About 4-fluoro-3-methoxyoctane

4-fluoro-3-methoxyoctane (PubChem CID 54495180) has the molecular formula C9H19FO and a molecular weight of 162.25 g/mol. Its IUPAC name is 4-fluoro-3-methoxyoctane.

Molecular Properties

Compound Name4-fluoro-3-methoxyoctane
PubChem CID54495180
Molecular FormulaC9H19FO
Molecular Weight162.25 g/mol
Exact Mass162.14
IUPAC Name4-fluoro-3-methoxyoctane
SMILESCCCCC(F)C(CC)OC
InChIInChI=1S/C9H19FO/c1-4-6-7-8(10)9(5-2)11-3/h8-9H,4-7H2,1-3H3
InChIKeyMLSOIFXDBHBYIH-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxyoctane?
The IUPAC name of 4-fluoro-3-methoxyoctane (CID 54495180) is 4-fluoro-3-methoxyoctane.
What is the SMILES notation for 4-fluoro-3-methoxyoctane?
The canonical SMILES for 4-fluoro-3-methoxyoctane is CCCCC(F)C(CC)OC.
What is the InChIKey of 4-fluoro-3-methoxyoctane?
The InChIKey is MLSOIFXDBHBYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO/c1-4-6-7-8(10)9(5-2)11-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-fluoro-3-methoxyoctane?
4-fluoro-3-methoxyoctane has a molecular weight of 162.25 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxyoctane is sourced from PubChem (CID 54495180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).