3-but-2-enoxy-2-fluoro-6-propoxyoctane

C15H29FO2 — CID 139472286

IUPAC3-but-2-enoxy-2-fluoro-6-propoxyoctane
SMILESCC=CCOC(CCC(CC)OCCC)C(C)F
InChIInChI=1S/C15H29FO2/c1-5-8-12-18-15(13(4)16)10-9-14(7-3)17-11-6-2/h5,8,13-15H,6-7,9-12H2,1-4H3
InChIKeyLZRCMNXEKRTXDO-UHFFFAOYSA-N
MW260.39 g/mol
LogP4.29
Rot. Bonds11

About 3-but-2-enoxy-2-fluoro-6-propoxyoctane

3-but-2-enoxy-2-fluoro-6-propoxyoctane (PubChem CID 139472286) has the molecular formula C15H29FO2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 3-but-2-enoxy-2-fluoro-6-propoxyoctane.

Molecular Properties

Compound Name3-but-2-enoxy-2-fluoro-6-propoxyoctane
PubChem CID139472286
Molecular FormulaC15H29FO2
Molecular Weight260.39 g/mol
Exact Mass260.22
IUPAC Name3-but-2-enoxy-2-fluoro-6-propoxyoctane
SMILESCC=CCOC(CCC(CC)OCCC)C(C)F
InChIInChI=1S/C15H29FO2/c1-5-8-12-18-15(13(4)16)10-9-14(7-3)17-11-6-2/h5,8,13-15H,6-7,9-12H2,1-4H3
InChIKeyLZRCMNXEKRTXDO-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-but-2-enoxy-2-fluoro-6-propoxyoctane?
The IUPAC name of 3-but-2-enoxy-2-fluoro-6-propoxyoctane (CID 139472286) is 3-but-2-enoxy-2-fluoro-6-propoxyoctane.
What is the SMILES notation for 3-but-2-enoxy-2-fluoro-6-propoxyoctane?
The canonical SMILES for 3-but-2-enoxy-2-fluoro-6-propoxyoctane is CC=CCOC(CCC(CC)OCCC)C(C)F.
What is the InChIKey of 3-but-2-enoxy-2-fluoro-6-propoxyoctane?
The InChIKey is LZRCMNXEKRTXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO2/c1-5-8-12-18-15(13(4)16)10-9-14(7-3)17-11-6-2/h5,8,13-15H,6-7,9-12H2,1-4H3.
What are the key properties of 3-but-2-enoxy-2-fluoro-6-propoxyoctane?
3-but-2-enoxy-2-fluoro-6-propoxyoctane has a molecular weight of 260.39 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enoxy-2-fluoro-6-propoxyoctane is sourced from PubChem (CID 139472286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).