3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol

C7H11F3O2 — CID 103216942

IUPAC3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol
SMILESC=C(C)C(O)COCC(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-5(2)6(11)3-12-4-7(8,9)10/h6,11H,1,3-4H2,2H3
InChIKeyOOJYCSSSMMGULZ-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.50
Rot. Bonds4

About 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol

3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol (PubChem CID 103216942) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol
PubChem CID103216942
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol
SMILESC=C(C)C(O)COCC(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-5(2)6(11)3-12-4-7(8,9)10/h6,11H,1,3-4H2,2H3
InChIKeyOOJYCSSSMMGULZ-UHFFFAOYSA-N
XLogP1.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol 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 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol (CID 103216942) is 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol is C=C(C)C(O)COCC(F)(F)F.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol?
The InChIKey is OOJYCSSSMMGULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-5(2)6(11)3-12-4-7(8,9)10/h6,11H,1,3-4H2,2H3.
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol?
3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol has a molecular weight of 184.16 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-ol is sourced from PubChem (CID 103216942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).