3-(fluoromethyl)-6-methoxyoct-3-ene

C10H19FO — CID 91366377

IUPAC3-(fluoromethyl)-6-methoxyoct-3-ene
SMILESCCC(=CCC(CC)OC)CF
InChIInChI=1S/C10H19FO/c1-4-9(8-11)6-7-10(5-2)12-3/h6,10H,4-5,7-8H2,1-3H3
InChIKeyWZSSMSOUADIXSW-UHFFFAOYSA-N
MW174.26 g/mol
LogP3.11
Rot. Bonds6

About 3-(fluoromethyl)-6-methoxyoct-3-ene

3-(fluoromethyl)-6-methoxyoct-3-ene (PubChem CID 91366377) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-(fluoromethyl)-6-methoxyoct-3-ene.

Molecular Properties

Compound Name3-(fluoromethyl)-6-methoxyoct-3-ene
PubChem CID91366377
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name3-(fluoromethyl)-6-methoxyoct-3-ene
SMILESCCC(=CCC(CC)OC)CF
InChIInChI=1S/C10H19FO/c1-4-9(8-11)6-7-10(5-2)12-3/h6,10H,4-5,7-8H2,1-3H3
InChIKeyWZSSMSOUADIXSW-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-6-methoxyoct-3-ene?
The IUPAC name of 3-(fluoromethyl)-6-methoxyoct-3-ene (CID 91366377) is 3-(fluoromethyl)-6-methoxyoct-3-ene.
What is the SMILES notation for 3-(fluoromethyl)-6-methoxyoct-3-ene?
The canonical SMILES for 3-(fluoromethyl)-6-methoxyoct-3-ene is CCC(=CCC(CC)OC)CF.
What is the InChIKey of 3-(fluoromethyl)-6-methoxyoct-3-ene?
The InChIKey is WZSSMSOUADIXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-4-9(8-11)6-7-10(5-2)12-3/h6,10H,4-5,7-8H2,1-3H3.
What are the key properties of 3-(fluoromethyl)-6-methoxyoct-3-ene?
3-(fluoromethyl)-6-methoxyoct-3-ene has a molecular weight of 174.26 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-6-methoxyoct-3-ene is sourced from PubChem (CID 91366377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).