2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate

C16H19F3O4 — CID 162562884

IUPAC2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate
SMILESC=C(C)COC(=O)C1C=C(OC(F)(F)F)C=CC1OCC(=C)C
InChIInChI=1S/C16H19F3O4/c1-10(2)8-21-14-6-5-12(23-16(17,18)19)7-13(14)15(20)22-9-11(3)4/h5-7,13-14H,1,3,8-9H2,2,4H3
InChIKeyHUDIKYXDNMGZPJ-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.67
Rot. Bonds7

About 2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate

2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate (PubChem CID 162562884) has the molecular formula C16H19F3O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Name2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate
PubChem CID162562884
Molecular FormulaC16H19F3O4
Molecular Weight332.32 g/mol
Exact Mass332.12
IUPAC Name2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate
SMILESC=C(C)COC(=O)C1C=C(OC(F)(F)F)C=CC1OCC(=C)C
InChIInChI=1S/C16H19F3O4/c1-10(2)8-21-14-6-5-12(23-16(17,18)19)7-13(14)15(20)22-9-11(3)4/h5-7,13-14H,1,3,8-9H2,2,4H3
InChIKeyHUDIKYXDNMGZPJ-UHFFFAOYSA-N
XLogP3.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate 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-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of 2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate (CID 162562884) is 2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for 2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for 2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate is C=C(C)COC(=O)C1C=C(OC(F)(F)F)C=CC1OCC(=C)C.
What is the InChIKey of 2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate?
The InChIKey is HUDIKYXDNMGZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O4/c1-10(2)8-21-14-6-5-12(23-16(17,18)19)7-13(14)15(20)22-9-11(3)4/h5-7,13-14H,1,3,8-9H2,2,4H3.
What are the key properties of 2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate?
2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate has a molecular weight of 332.32 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 6-(2-methylprop-2-enoxy)-3-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 162562884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).