2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate

C9H11F3O3 — CID 141089810

IUPAC2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1OCC1C(F)(F)F
InChIInChI=1S/C9H11F3O3/c1-2-8(13)14-4-3-7-6(5-15-7)9(10,11)12/h2,6-7H,1,3-5H2
InChIKeyPITHOQRBOPMCBS-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.68
Rot. Bonds4

About 2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate

2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate (PubChem CID 141089810) has the molecular formula C9H11F3O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate
PubChem CID141089810
Molecular FormulaC9H11F3O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1OCC1C(F)(F)F
InChIInChI=1S/C9H11F3O3/c1-2-8(13)14-4-3-7-6(5-15-7)9(10,11)12/h2,6-7H,1,3-5H2
InChIKeyPITHOQRBOPMCBS-UHFFFAOYSA-N
XLogP1.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate 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

2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate
CID 141157526
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
2-[tetrafluoro(trifluoromethyl)-λ6-sulfanyl]ethyl prop-2-enoate
CID 169488853
2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
3,3-difluorobutyl prop-2-enoate
CID 139844098
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
3-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 174813594
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
CID 87786721
2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate
CID 141251980
2-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 141341823

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate?
The IUPAC name of 2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate (CID 141089810) is 2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate?
The canonical SMILES for 2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate is C=CC(=O)OCCC1OCC1C(F)(F)F.
What is the InChIKey of 2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate?
The InChIKey is PITHOQRBOPMCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3/c1-2-8(13)14-4-3-7-6(5-15-7)9(10,11)12/h2,6-7H,1,3-5H2.
What are the key properties of 2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate?
2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate has a molecular weight of 224.18 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate is sourced from PubChem (CID 141089810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).