2-ethoxy-3-ethyl-5-fluorohex-1-ene

C10H19FO — CID 162686841

IUPAC2-ethoxy-3-ethyl-5-fluorohex-1-ene
SMILESC=C(OCC)C(CC)CC(C)F
InChIInChI=1S/C10H19FO/c1-5-10(7-8(3)11)9(4)12-6-2/h8,10H,4-7H2,1-3H3
InChIKeyCDVDTDGLTIKHLW-UHFFFAOYSA-N
MW174.26 g/mol
LogP3.31
Rot. Bonds6

About 2-ethoxy-3-ethyl-5-fluorohex-1-ene

2-ethoxy-3-ethyl-5-fluorohex-1-ene (PubChem CID 162686841) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-ethoxy-3-ethyl-5-fluorohex-1-ene.

Molecular Properties

Compound Name2-ethoxy-3-ethyl-5-fluorohex-1-ene
PubChem CID162686841
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name2-ethoxy-3-ethyl-5-fluorohex-1-ene
SMILESC=C(OCC)C(CC)CC(C)F
InChIInChI=1S/C10H19FO/c1-5-10(7-8(3)11)9(4)12-6-2/h8,10H,4-7H2,1-3H3
InChIKeyCDVDTDGLTIKHLW-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethyl-5-fluorohex-1-ene?
The IUPAC name of 2-ethoxy-3-ethyl-5-fluorohex-1-ene (CID 162686841) is 2-ethoxy-3-ethyl-5-fluorohex-1-ene.
What is the SMILES notation for 2-ethoxy-3-ethyl-5-fluorohex-1-ene?
The canonical SMILES for 2-ethoxy-3-ethyl-5-fluorohex-1-ene is C=C(OCC)C(CC)CC(C)F.
What is the InChIKey of 2-ethoxy-3-ethyl-5-fluorohex-1-ene?
The InChIKey is CDVDTDGLTIKHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-5-10(7-8(3)11)9(4)12-6-2/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-ethoxy-3-ethyl-5-fluorohex-1-ene?
2-ethoxy-3-ethyl-5-fluorohex-1-ene has a molecular weight of 174.26 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethyl-5-fluorohex-1-ene is sourced from PubChem (CID 162686841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).