(2,3,6-trifluorophenyl)methyl prop-2-enoate

C10H7F3O2 — CID 102015327

IUPAC(2,3,6-trifluorophenyl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1c(F)ccc(F)c1F
InChIInChI=1S/C10H7F3O2/c1-2-9(14)15-5-6-7(11)3-4-8(12)10(6)13/h2-4H,1,5H2
InChIKeyRECFBUKGKLLKHM-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.33
Rot. Bonds3

About (2,3,6-trifluorophenyl)methyl prop-2-enoate

(2,3,6-trifluorophenyl)methyl prop-2-enoate (PubChem CID 102015327) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is (2,3,6-trifluorophenyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(2,3,6-trifluorophenyl)methyl prop-2-enoate
PubChem CID102015327
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name(2,3,6-trifluorophenyl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1c(F)ccc(F)c1F
InChIInChI=1S/C10H7F3O2/c1-2-9(14)15-5-6-7(11)3-4-8(12)10(6)13/h2-4H,1,5H2
InChIKeyRECFBUKGKLLKHM-UHFFFAOYSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2,3,6-trifluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of (2,3,6-trifluorophenyl)methyl prop-2-enoate?
The IUPAC name of (2,3,6-trifluorophenyl)methyl prop-2-enoate (CID 102015327) is (2,3,6-trifluorophenyl)methyl prop-2-enoate.
What is the SMILES notation for (2,3,6-trifluorophenyl)methyl prop-2-enoate?
The canonical SMILES for (2,3,6-trifluorophenyl)methyl prop-2-enoate is C=CC(=O)OCc1c(F)ccc(F)c1F.
What is the InChIKey of (2,3,6-trifluorophenyl)methyl prop-2-enoate?
The InChIKey is RECFBUKGKLLKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c1-2-9(14)15-5-6-7(11)3-4-8(12)10(6)13/h2-4H,1,5H2.
What are the key properties of (2,3,6-trifluorophenyl)methyl prop-2-enoate?
(2,3,6-trifluorophenyl)methyl prop-2-enoate has a molecular weight of 216.16 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,6-trifluorophenyl)methyl prop-2-enoate is sourced from PubChem (CID 102015327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).