2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol

C9H13F3O2 — CID 151418157

IUPAC2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol
SMILESCC=CC(C)(O)CC1OC(F)C1(F)F
InChIInChI=1S/C9H13F3O2/c1-3-4-8(2,13)5-6-9(11,12)7(10)14-6/h3-4,6-7,13H,5H2,1-2H3
InChIKeyOZYSJVQNHFFQAD-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.03
Rot. Bonds3

About 2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol

2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol (PubChem CID 151418157) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol
PubChem CID151418157
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol
SMILESCC=CC(C)(O)CC1OC(F)C1(F)F
InChIInChI=1S/C9H13F3O2/c1-3-4-8(2,13)5-6-9(11,12)7(10)14-6/h3-4,6-7,13H,5H2,1-2H3
InChIKeyOZYSJVQNHFFQAD-UHFFFAOYSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-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 2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol?
The IUPAC name of 2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol (CID 151418157) is 2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol.
What is the SMILES notation for 2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol?
The canonical SMILES for 2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol is CC=CC(C)(O)CC1OC(F)C1(F)F.
What is the InChIKey of 2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol?
The InChIKey is OZYSJVQNHFFQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-3-4-8(2,13)5-6-9(11,12)7(10)14-6/h3-4,6-7,13H,5H2,1-2H3.
What are the key properties of 2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol?
2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol has a molecular weight of 210.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,3,4-trifluorooxetan-2-yl)pent-3-en-2-ol is sourced from PubChem (CID 151418157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).