5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran

C8H11F3O — CID 152924657

IUPAC5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran
SMILESCC1=CCC(C(C)C(F)(F)F)O1
InChIInChI=1S/C8H11F3O/c1-5-3-4-7(12-5)6(2)8(9,10)11/h3,6-7H,4H2,1-2H3
InChIKeyUJTVBXWTAAIVGY-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.88
Rot. Bonds1

About 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran

5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran (PubChem CID 152924657) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran.

Molecular Properties

Compound Name5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran
PubChem CID152924657
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran
SMILESCC1=CCC(C(C)C(F)(F)F)O1
InChIInChI=1S/C8H11F3O/c1-5-3-4-7(12-5)6(2)8(9,10)11/h3,6-7H,4H2,1-2H3
InChIKeyUJTVBXWTAAIVGY-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran?
The IUPAC name of 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran (CID 152924657) is 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran.
What is the SMILES notation for 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran?
The canonical SMILES for 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran is CC1=CCC(C(C)C(F)(F)F)O1.
What is the InChIKey of 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran?
The InChIKey is UJTVBXWTAAIVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-5-3-4-7(12-5)6(2)8(9,10)11/h3,6-7H,4H2,1-2H3.
What are the key properties of 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran?
5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran has a molecular weight of 180.17 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrofuran is sourced from PubChem (CID 152924657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).