1-ethenoxy-1-fluorobutane

C6H11FO — CID 87185743

IUPAC1-ethenoxy-1-fluorobutane
SMILESC=COC(F)CCC
InChIInChI=1S/C6H11FO/c1-3-5-6(7)8-4-2/h4,6H,2-3,5H2,1H3
InChIKeyYALFDFOYLYURQE-UHFFFAOYSA-N
MW118.15 g/mol
LogP2.24
Rot. Bonds4

About 1-ethenoxy-1-fluorobutane

1-ethenoxy-1-fluorobutane (PubChem CID 87185743) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 1-ethenoxy-1-fluorobutane.

Molecular Properties

Compound Name1-ethenoxy-1-fluorobutane
PubChem CID87185743
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name1-ethenoxy-1-fluorobutane
SMILESC=COC(F)CCC
InChIInChI=1S/C6H11FO/c1-3-5-6(7)8-4-2/h4,6H,2-3,5H2,1H3
InChIKeyYALFDFOYLYURQE-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

CID 8108
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CID 69815
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CID 53718355
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CID 129657690
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CID 22070188
CID 22070188
CID 18790365
CID 18790365
CID 21930789
CID 21930789
CID 22337931
CID 22337931
CID 22996827
CID 22996827
CID 23056322
CID 23056322
CID 58979831
CID 58979831
CID 82788398
CID 82788398

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1-fluorobutane?
The IUPAC name of 1-ethenoxy-1-fluorobutane (CID 87185743) is 1-ethenoxy-1-fluorobutane.
What is the SMILES notation for 1-ethenoxy-1-fluorobutane?
The canonical SMILES for 1-ethenoxy-1-fluorobutane is C=COC(F)CCC.
What is the InChIKey of 1-ethenoxy-1-fluorobutane?
The InChIKey is YALFDFOYLYURQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-3-5-6(7)8-4-2/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-ethenoxy-1-fluorobutane?
1-ethenoxy-1-fluorobutane has a molecular weight of 118.15 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1-fluorobutane is sourced from PubChem (CID 87185743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).