4-(2,2,2-trifluoroethoxy)but-1-ene

C6H9F3O — CID 23466677

IUPAC4-(2,2,2-trifluoroethoxy)but-1-ene
SMILESC=CCCOCC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-2-3-4-10-5-6(7,8)9/h2H,1,3-5H2
InChIKeyXNFYRGZQKUIVLZ-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.14
Rot. Bonds4

About 4-(2,2,2-trifluoroethoxy)but-1-ene

4-(2,2,2-trifluoroethoxy)but-1-ene (PubChem CID 23466677) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)but-1-ene.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)but-1-ene
PubChem CID23466677
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name4-(2,2,2-trifluoroethoxy)but-1-ene
SMILESC=CCCOCC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-2-3-4-10-5-6(7,8)9/h2H,1,3-5H2
InChIKeyXNFYRGZQKUIVLZ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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-(2,2,2-trifluoroethoxy)but-1-ene?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)but-1-ene (CID 23466677) is 4-(2,2,2-trifluoroethoxy)but-1-ene.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)but-1-ene?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)but-1-ene is C=CCCOCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)but-1-ene?
The InChIKey is XNFYRGZQKUIVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-2-3-4-10-5-6(7,8)9/h2H,1,3-5H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)but-1-ene?
4-(2,2,2-trifluoroethoxy)but-1-ene has a molecular weight of 154.13 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)but-1-ene is sourced from PubChem (CID 23466677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).