[3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate

C9H9F5O3 — CID 150173929

IUPAC[3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1OC1CC(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F5O3/c1-2-7(15)16-4-6-5(17-6)3-8(10,11)9(12,13)14/h2,5-6H,1,3-4H2
InChIKeyFJZWUXHUVIYGAM-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.07
Rot. Bonds5

About [3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate

[3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate (PubChem CID 150173929) has the molecular formula C9H9F5O3 and a molecular weight of 260.16 g/mol. Its IUPAC name is [3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate
PubChem CID150173929
Molecular FormulaC9H9F5O3
Molecular Weight260.16 g/mol
Exact Mass260.05
IUPAC Name[3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1OC1CC(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F5O3/c1-2-7(15)16-4-6-5(17-6)3-8(10,11)9(12,13)14/h2,5-6H,1,3-4H2
InChIKeyFJZWUXHUVIYGAM-UHFFFAOYSA-N
XLogP2.07
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl 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

(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate
CID 174899887
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
3,3,4,4,7,7,8,8,11,11,12,12,12-tridecafluorododecyl prop-2-enoate
CID 87121766
methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate
CID 161366700
[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl]methyl prop-2-enoate
CID 166816208
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate
CID 141157526
[2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate
CID 151236845
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-enyl] prop-2-enoate
CID 76599744

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate?
The IUPAC name of [3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate (CID 150173929) is [3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate.
What is the SMILES notation for [3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate?
The canonical SMILES for [3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate is C=CC(=O)OCC1OC1CC(F)(F)C(F)(F)F.
What is the InChIKey of [3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate?
The InChIKey is FJZWUXHUVIYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5O3/c1-2-7(15)16-4-6-5(17-6)3-8(10,11)9(12,13)14/h2,5-6H,1,3-4H2.
What are the key properties of [3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate?
[3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate has a molecular weight of 260.16 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate is sourced from PubChem (CID 150173929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).