2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate

C10H12F6O4 — CID 134932719

IUPAC2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate
SMILESCC/C(C)=C(\OC(F)(F)F)C(=O)OCCOC(F)(F)F
InChIInChI=1S/C10H12F6O4/c1-3-6(2)7(20-10(14,15)16)8(17)18-4-5-19-9(11,12)13/h3-5H2,1-2H3/b7-6-
InChIKeyAPYXQKPSPGBNHH-SREVYHEPSA-N
MW310.19 g/mol
LogP3.29
Rot. Bonds6

About 2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate

2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate (PubChem CID 134932719) has the molecular formula C10H12F6O4 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate.

Molecular Properties

Compound Name2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate
PubChem CID134932719
Molecular FormulaC10H12F6O4
Molecular Weight310.19 g/mol
Exact Mass310.06
IUPAC Name2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate
SMILESCC/C(C)=C(\OC(F)(F)F)C(=O)OCCOC(F)(F)F
InChIInChI=1S/C10H12F6O4/c1-3-6(2)7(20-10(14,15)16)8(17)18-4-5-19-9(11,12)13/h3-5H2,1-2H3/b7-6-
InChIKeyAPYXQKPSPGBNHH-SREVYHEPSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-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-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate?
The IUPAC name of 2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate (CID 134932719) is 2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate.
What is the SMILES notation for 2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate?
The canonical SMILES for 2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate is CC/C(C)=C(\OC(F)(F)F)C(=O)OCCOC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate?
The InChIKey is APYXQKPSPGBNHH-SREVYHEPSA-N. The full InChI is InChI=1S/C10H12F6O4/c1-3-6(2)7(20-10(14,15)16)8(17)18-4-5-19-9(11,12)13/h3-5H2,1-2H3/b7-6-.
What are the key properties of 2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate?
2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate has a molecular weight of 310.19 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)ethyl (Z)-3-methyl-2-(trifluoromethoxy)pent-2-enoate is sourced from PubChem (CID 134932719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).