2,2-difluoroethyl 2-methylprop-2-enoate

C6H8F2O2 — CID 14227471

IUPAC2,2-difluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)F
InChIInChI=1S/C6H8F2O2/c1-4(2)6(9)10-3-5(7)8/h5H,1,3H2,2H3
InChIKeyKZHBCZKGLXRLDW-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.37
Rot. Bonds3

About 2,2-difluoroethyl 2-methylprop-2-enoate

2,2-difluoroethyl 2-methylprop-2-enoate (PubChem CID 14227471) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 2,2-difluoroethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,2-difluoroethyl 2-methylprop-2-enoate
PubChem CID14227471
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name2,2-difluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)F
InChIInChI=1S/C6H8F2O2/c1-4(2)6(9)10-3-5(7)8/h5H,1,3H2,2H3
InChIKeyKZHBCZKGLXRLDW-UHFFFAOYSA-N
XLogP1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-difluoroethyl 2-methylprop-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 2,2-difluoroethyl 2-methylprop-2-enoate?
The IUPAC name of 2,2-difluoroethyl 2-methylprop-2-enoate (CID 14227471) is 2,2-difluoroethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,2-difluoroethyl 2-methylprop-2-enoate?
The canonical SMILES for 2,2-difluoroethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl 2-methylprop-2-enoate?
The InChIKey is KZHBCZKGLXRLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-4(2)6(9)10-3-5(7)8/h5H,1,3H2,2H3.
What are the key properties of 2,2-difluoroethyl 2-methylprop-2-enoate?
2,2-difluoroethyl 2-methylprop-2-enoate has a molecular weight of 150.12 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 2-methylprop-2-enoate is sourced from PubChem (CID 14227471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).