[2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate

C9H11F3O3 — CID 151236845

IUPAC[2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1CCC1OC(F)(F)F
InChIInChI=1S/C9H11F3O3/c1-2-8(13)14-5-6-3-4-7(6)15-9(10,11)12/h2,6-7H,1,3-5H2
InChIKeyNPLMGXOSVMAOOY-UHFFFAOYSA-N
MW224.18 g/mol
LogP2.03
Rot. Bonds4

About [2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate

[2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate (PubChem CID 151236845) has the molecular formula C9H11F3O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is [2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate
PubChem CID151236845
Molecular FormulaC9H11F3O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name[2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1CCC1OC(F)(F)F
InChIInChI=1S/C9H11F3O3/c1-2-8(13)14-5-6-3-4-7(6)15-9(10,11)12/h2,6-7H,1,3-5H2
InChIKeyNPLMGXOSVMAOOY-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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

oxetan-2-ylmethyl prop-2-enoate
CID 23067256
[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl]methyl prop-2-enoate
CID 166816208
(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate
CID 137428547
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl prop-2-enoate
CID 3517032
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl prop-2-enoate
CID 11816189
(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate
CID 142801588
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
[3-hydroxy-4-[2-[4-(trifluoromethoxy)phenoxy]acetyl]oxycyclohexyl]methyl prop-2-enoate
CID 177277314
[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl] prop-2-enoate
CID 58999850
[3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 91104364
(5,6,6-trifluoro-5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl prop-2-enoate
CID 166810420
[3-hydroxy-4-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxycyclohexyl]methyl prop-2-enoate
CID 177277249

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate?
The IUPAC name of [2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate (CID 151236845) is [2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate.
What is the SMILES notation for [2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate?
The canonical SMILES for [2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate is C=CC(=O)OCC1CCC1OC(F)(F)F.
What is the InChIKey of [2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate?
The InChIKey is NPLMGXOSVMAOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3/c1-2-8(13)14-5-6-3-4-7(6)15-9(10,11)12/h2,6-7H,1,3-5H2.
What are the key properties of [2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate?
[2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate has a molecular weight of 224.18 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethoxy)cyclobutyl]methyl prop-2-enoate is sourced from PubChem (CID 151236845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).