4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran

C8H11F3O — CID 89041411

IUPAC4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran
SMILESCCC1=C(C(F)(F)F)OC(C)C1
InChIInChI=1S/C8H11F3O/c1-3-6-4-5(2)12-7(6)8(9,10)11/h5H,3-4H2,1-2H3
InChIKeyIUOCFAKPRISRAI-UHFFFAOYSA-N
MW180.17 g/mol
LogP3.02
Rot. Bonds1

About 4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran

4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran (PubChem CID 89041411) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran
PubChem CID89041411
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran
SMILESCCC1=C(C(F)(F)F)OC(C)C1
InChIInChI=1S/C8H11F3O/c1-3-6-4-5(2)12-7(6)8(9,10)11/h5H,3-4H2,1-2H3
InChIKeyIUOCFAKPRISRAI-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran?
The IUPAC name of 4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran (CID 89041411) is 4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran.
What is the SMILES notation for 4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran?
The canonical SMILES for 4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran is CCC1=C(C(F)(F)F)OC(C)C1.
What is the InChIKey of 4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran?
The InChIKey is IUOCFAKPRISRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-3-6-4-5(2)12-7(6)8(9,10)11/h5H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran?
4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran has a molecular weight of 180.17 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran is sourced from PubChem (CID 89041411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).