1-ethenoxy-3-ethyl-1-fluorodecane

C14H27FO — CID 141117770

IUPAC1-ethenoxy-3-ethyl-1-fluorodecane
SMILESC=COC(F)CC(CC)CCCCCCC
InChIInChI=1S/C14H27FO/c1-4-7-8-9-10-11-13(5-2)12-14(15)16-6-3/h6,13-14H,3-5,7-12H2,1-2H3
InChIKeySAQMPZYSNVOCIH-UHFFFAOYSA-N
MW230.37 g/mol
LogP5.22
Rot. Bonds11

About 1-ethenoxy-3-ethyl-1-fluorodecane

1-ethenoxy-3-ethyl-1-fluorodecane (PubChem CID 141117770) has the molecular formula C14H27FO and a molecular weight of 230.37 g/mol. Its IUPAC name is 1-ethenoxy-3-ethyl-1-fluorodecane.

Molecular Properties

Compound Name1-ethenoxy-3-ethyl-1-fluorodecane
PubChem CID141117770
Molecular FormulaC14H27FO
Molecular Weight230.37 g/mol
Exact Mass230.20
IUPAC Name1-ethenoxy-3-ethyl-1-fluorodecane
SMILESC=COC(F)CC(CC)CCCCCCC
InChIInChI=1S/C14H27FO/c1-4-7-8-9-10-11-13(5-2)12-14(15)16-6-3/h6,13-14H,3-5,7-12H2,1-2H3
InChIKeySAQMPZYSNVOCIH-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.37
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-ethyl-1-fluorodecane?
The IUPAC name of 1-ethenoxy-3-ethyl-1-fluorodecane (CID 141117770) is 1-ethenoxy-3-ethyl-1-fluorodecane.
What is the SMILES notation for 1-ethenoxy-3-ethyl-1-fluorodecane?
The canonical SMILES for 1-ethenoxy-3-ethyl-1-fluorodecane is C=COC(F)CC(CC)CCCCCCC.
What is the InChIKey of 1-ethenoxy-3-ethyl-1-fluorodecane?
The InChIKey is SAQMPZYSNVOCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO/c1-4-7-8-9-10-11-13(5-2)12-14(15)16-6-3/h6,13-14H,3-5,7-12H2,1-2H3.
What are the key properties of 1-ethenoxy-3-ethyl-1-fluorodecane?
1-ethenoxy-3-ethyl-1-fluorodecane has a molecular weight of 230.37 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-ethyl-1-fluorodecane is sourced from PubChem (CID 141117770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).