2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol

C8H11F3O2 — CID 144656581

IUPAC2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol
SMILESC=C(C1CC(O)CCO1)C(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-5(8(9,10)11)7-4-6(12)2-3-13-7/h6-7,12H,1-4H2
InChIKeyKUTQDTMOOMCADF-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.64
Rot. Bonds1

About 2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol

2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol (PubChem CID 144656581) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol.

Molecular Properties

Compound Name2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol
PubChem CID144656581
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol
SMILESC=C(C1CC(O)CCO1)C(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-5(8(9,10)11)7-4-6(12)2-3-13-7/h6-7,12H,1-4H2
InChIKeyKUTQDTMOOMCADF-UHFFFAOYSA-N
XLogP1.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2alpha-Vinyl-6alpha-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]tetrahydro-2H-pyran-4alpha-ol
CID 66552210
(2R,3S,4R)-2-(3,3,3-trifluoroprop-1-en-2-yl)oxane-3,4-diol
CID 144656590
(2R)-5,5-difluoro-2-prop-1-en-2-yloxane
CID 146433106
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-ol
CID 103147615
1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-ol
CID 103147943
2-(5,6-Dimethylideneoxan-2-yl)ethanol
CID 123437750
2-(Oxan-2-yl)buta-2,3-dien-1-ol
CID 13717423
2-(Oxan-2-yl)prop-2-en-1-ol
CID 15731744

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol?
The IUPAC name of 2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol (CID 144656581) is 2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol.
What is the SMILES notation for 2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol?
The canonical SMILES for 2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol is C=C(C1CC(O)CCO1)C(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol?
The InChIKey is KUTQDTMOOMCADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-5(8(9,10)11)7-4-6(12)2-3-13-7/h6-7,12H,1-4H2.
What are the key properties of 2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol?
2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol has a molecular weight of 196.17 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoroprop-1-en-2-yl)oxan-4-ol is sourced from PubChem (CID 144656581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).