2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate

C9H12F2O4 — CID 160659277

IUPAC2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate
SMILESC=CC(=O)OCCF.C=CC(=O)OCF
InChIInChI=1S/C5H7FO2.C4H5FO2/c1-2-5(7)8-4-3-6;1-2-4(6)7-3-5/h2H,1,3-4H2;2H,1,3H2
InChIKeyRLLOODFLMRRXJU-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.33
Rot. Bonds5

About 2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate

2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate (PubChem CID 160659277) has the molecular formula C9H12F2O4 and a molecular weight of 222.19 g/mol. Its IUPAC name is 2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate.

Molecular Properties

Compound Name2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate
PubChem CID160659277
Molecular FormulaC9H12F2O4
Molecular Weight222.19 g/mol
Exact Mass222.07
IUPAC Name2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate
SMILESC=CC(=O)OCCF.C=CC(=O)OCF
InChIInChI=1S/C5H7FO2.C4H5FO2/c1-2-5(7)8-4-3-6;1-2-4(6)7-3-5/h2H,1,3-4H2;2H,1,3H2
InChIKeyRLLOODFLMRRXJU-UHFFFAOYSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoroethyl prop-2-enoate;fluoromethyl 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

Related Compounds

11-fluoroundecyl prop-2-enoate
CID 88673047
14-fluorotetradecyl prop-2-enoate
CID 142675259
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
3,3-difluorobutyl prop-2-enoate
CID 139844098
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-chloroethyl prop-2-enoate
CID 16627
1-fluorododecane;heptyl prop-2-enoate
CID 175477219

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate?
The IUPAC name of 2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate (CID 160659277) is 2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate.
What is the SMILES notation for 2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate?
The canonical SMILES for 2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate is C=CC(=O)OCCF.C=CC(=O)OCF.
What is the InChIKey of 2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate?
The InChIKey is RLLOODFLMRRXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2.C4H5FO2/c1-2-5(7)8-4-3-6;1-2-4(6)7-3-5/h2H,1,3-4H2;2H,1,3H2.
What are the key properties of 2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate?
2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate has a molecular weight of 222.19 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate is sourced from PubChem (CID 160659277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).