4-ethoxy-2-(trifluoromethyl)but-1-ene

C7H11F3O — CID 118680511

IUPAC4-ethoxy-2-(trifluoromethyl)but-1-ene
SMILESC=C(CCOCC)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-3-11-5-4-6(2)7(8,9)10/h2-5H2,1H3
InChIKeyWKLZSOIQUKWRTH-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.53
Rot. Bonds4

About 4-ethoxy-2-(trifluoromethyl)but-1-ene

4-ethoxy-2-(trifluoromethyl)but-1-ene (PubChem CID 118680511) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 4-ethoxy-2-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name4-ethoxy-2-(trifluoromethyl)but-1-ene
PubChem CID118680511
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name4-ethoxy-2-(trifluoromethyl)but-1-ene
SMILESC=C(CCOCC)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-3-11-5-4-6(2)7(8,9)10/h2-5H2,1H3
InChIKeyWKLZSOIQUKWRTH-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(trifluoromethyl)but-1-ene?
The IUPAC name of 4-ethoxy-2-(trifluoromethyl)but-1-ene (CID 118680511) is 4-ethoxy-2-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 4-ethoxy-2-(trifluoromethyl)but-1-ene?
The canonical SMILES for 4-ethoxy-2-(trifluoromethyl)but-1-ene is C=C(CCOCC)C(F)(F)F.
What is the InChIKey of 4-ethoxy-2-(trifluoromethyl)but-1-ene?
The InChIKey is WKLZSOIQUKWRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-3-11-5-4-6(2)7(8,9)10/h2-5H2,1H3.
What are the key properties of 4-ethoxy-2-(trifluoromethyl)but-1-ene?
4-ethoxy-2-(trifluoromethyl)but-1-ene has a molecular weight of 168.16 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 118680511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).