2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate

C8H9F3O3 — CID 141251980

IUPAC2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1OC(F)C1(F)F
InChIInChI=1S/C8H9F3O3/c1-2-6(12)13-4-3-5-8(10,11)7(9)14-5/h2,5,7H,1,3-4H2
InChIKeyIATLEVCOVGJMCK-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.44
Rot. Bonds4

About 2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate

2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate (PubChem CID 141251980) has the molecular formula C8H9F3O3 and a molecular weight of 210.15 g/mol. Its IUPAC name is 2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate
PubChem CID141251980
Molecular FormulaC8H9F3O3
Molecular Weight210.15 g/mol
Exact Mass210.05
IUPAC Name2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1OC(F)C1(F)F
InChIInChI=1S/C8H9F3O3/c1-2-6(12)13-4-3-5-8(10,11)7(9)14-5/h2,5,7H,1,3-4H2
InChIKeyIATLEVCOVGJMCK-UHFFFAOYSA-N
XLogP1.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate
CID 141157526
10-(3-pentyloxiran-2-yl)decyl prop-2-enoate
CID 141175333
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-[3-(trifluoromethyl)oxetan-2-yl]ethyl prop-2-enoate
CID 141089810
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-chloroethyl prop-2-enoate
CID 16627

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate (CID 141251980) is 2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate is C=CC(=O)OCCC1OC(F)C1(F)F.
What is the InChIKey of 2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate?
The InChIKey is IATLEVCOVGJMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O3/c1-2-6(12)13-4-3-5-8(10,11)7(9)14-5/h2,5,7H,1,3-4H2.
What are the key properties of 2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate?
2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate has a molecular weight of 210.15 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate is sourced from PubChem (CID 141251980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).