4-ethoxy-1,1,2-trifluorobut-1-ene

C6H9F3O — CID 2737150

IUPAC4-ethoxy-1,1,2-trifluorobut-1-ene
SMILESCCOCCC(F)=C(F)F
InChIInChI=1S/C6H9F3O/c1-2-10-4-3-5(7)6(8)9/h2-4H2,1H3
InChIKeySHZZRRYXRFZQBE-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.49
Rot. Bonds4

About 4-ethoxy-1,1,2-trifluorobut-1-ene

4-ethoxy-1,1,2-trifluorobut-1-ene (PubChem CID 2737150) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 4-ethoxy-1,1,2-trifluorobut-1-ene.

Molecular Properties

Compound Name4-ethoxy-1,1,2-trifluorobut-1-ene
PubChem CID2737150
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name4-ethoxy-1,1,2-trifluorobut-1-ene
SMILESCCOCCC(F)=C(F)F
InChIInChI=1S/C6H9F3O/c1-2-10-4-3-5(7)6(8)9/h2-4H2,1H3
InChIKeySHZZRRYXRFZQBE-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,1,2-trifluorobut-1-ene?
The IUPAC name of 4-ethoxy-1,1,2-trifluorobut-1-ene (CID 2737150) is 4-ethoxy-1,1,2-trifluorobut-1-ene.
What is the SMILES notation for 4-ethoxy-1,1,2-trifluorobut-1-ene?
The canonical SMILES for 4-ethoxy-1,1,2-trifluorobut-1-ene is CCOCCC(F)=C(F)F.
What is the InChIKey of 4-ethoxy-1,1,2-trifluorobut-1-ene?
The InChIKey is SHZZRRYXRFZQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-2-10-4-3-5(7)6(8)9/h2-4H2,1H3.
What are the key properties of 4-ethoxy-1,1,2-trifluorobut-1-ene?
4-ethoxy-1,1,2-trifluorobut-1-ene has a molecular weight of 154.13 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,1,2-trifluorobut-1-ene is sourced from PubChem (CID 2737150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).