2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate

C10H11F5O3 — CID 141157526

IUPAC2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CC(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H11F5O3/c1-2-8(16)17-4-3-6-5-7(18-6)9(11,12)10(13,14)15/h2,6-7H,1,3-5H2
InChIKeyWJXYWOPCXKWUPJ-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.46
Rot. Bonds5

About 2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate

2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate (PubChem CID 141157526) has the molecular formula C10H11F5O3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate
PubChem CID141157526
Molecular FormulaC10H11F5O3
Molecular Weight274.19 g/mol
Exact Mass274.06
IUPAC Name2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CC(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H11F5O3/c1-2-8(16)17-4-3-6-5-7(18-6)9(11,12)10(13,14)15/h2,6-7H,1,3-5H2
InChIKeyWJXYWOPCXKWUPJ-UHFFFAOYSA-N
XLogP2.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.46
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'}

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Related Compounds

2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate
CID 141157512
2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate
CID 141089810
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate
CID 141251980
3,3,4,4,7,7,8,8,11,11,12,12,12-tridecafluorododecyl prop-2-enoate
CID 87121766
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3,3-difluorobutyl prop-2-enoate
CID 139844098
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027
[3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate
CID 150173929
[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl]methyl prop-2-enoate
CID 166816208

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate?
The IUPAC name of 2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate (CID 141157526) is 2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate is C=CC(=O)OCCC1CC(C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate?
The InChIKey is WJXYWOPCXKWUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5O3/c1-2-8(16)17-4-3-6-5-7(18-6)9(11,12)10(13,14)15/h2,6-7H,1,3-5H2.
What are the key properties of 2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate?
2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate has a molecular weight of 274.19 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate is sourced from PubChem (CID 141157526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).