2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate

C12H11F3O2 — CID 150969987

IUPAC2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3O2/c1-2-11(16)17-8-7-9-5-3-4-6-10(9)12(13,14)15/h2-6H,1,7-8H2
InChIKeyLNXHIIIZZFPMHJ-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.98
Rot. Bonds4

About 2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate

2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate (PubChem CID 150969987) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate
PubChem CID150969987
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3O2/c1-2-11(16)17-8-7-9-5-3-4-6-10(9)12(13,14)15/h2-6H,1,7-8H2
InChIKeyLNXHIIIZZFPMHJ-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide
CID 173064353
2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;sulfuric acid
CID 67537228
2-(2-chlorophenyl)ethyl prop-2-enoate
CID 18316827
oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium
CID 23219499
dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 87166362
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
methyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 141252763
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
3-[2-(aminomethyl)phenyl]propyl prop-2-enoate
CID 174579618
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
(2-fluorophenyl)methyl prop-2-enoate
CID 66714923

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate (CID 150969987) is 2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate?
The InChIKey is LNXHIIIZZFPMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-2-11(16)17-8-7-9-5-3-4-6-10(9)12(13,14)15/h2-6H,1,7-8H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate?
2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate has a molecular weight of 244.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 150969987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).