3-fluoroprop-2-enyl 2-methylprop-2-enoate

C7H9FO2 — CID 67041236

IUPAC3-fluoroprop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC=CF
InChIInChI=1S/C7H9FO2/c1-6(2)7(9)10-5-3-4-8/h3-4H,1,5H2,2H3
InChIKeyUPMGFXWPUYTCRR-UHFFFAOYSA-N
MW144.14 g/mol
LogP1.59
Rot. Bonds3

About 3-fluoroprop-2-enyl 2-methylprop-2-enoate

3-fluoroprop-2-enyl 2-methylprop-2-enoate (PubChem CID 67041236) has the molecular formula C7H9FO2 and a molecular weight of 144.14 g/mol. Its IUPAC name is 3-fluoroprop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-fluoroprop-2-enyl 2-methylprop-2-enoate
PubChem CID67041236
Molecular FormulaC7H9FO2
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Name3-fluoroprop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC=CF
InChIInChI=1S/C7H9FO2/c1-6(2)7(9)10-5-3-4-8/h3-4H,1,5H2,2H3
InChIKeyUPMGFXWPUYTCRR-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoroprop-2-enyl 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

Related Compounds

2-tellanylideneethyl 2-methylprop-2-enoate
CID 24758211
3-triethoxysilylprop-2-enyl 2-methylprop-2-enoate
CID 86216311
3-piperidin-1-ylprop-2-enyl 2-methylprop-2-enoate
CID 173435539
ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
magnesium bis(ethyl 2-methylprop-2-enoate)
CID 174920026
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
3-[4-[4-[3-(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]phenoxy]prop-2-enyl 2-methylprop-2-enoate
CID 123863049
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
ethyl 2-methylprop-2-enoate
CID 130475774

Frequently Asked Questions

What is the IUPAC name of 3-fluoroprop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of 3-fluoroprop-2-enyl 2-methylprop-2-enoate (CID 67041236) is 3-fluoroprop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-fluoroprop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for 3-fluoroprop-2-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC=CF.
What is the InChIKey of 3-fluoroprop-2-enyl 2-methylprop-2-enoate?
The InChIKey is UPMGFXWPUYTCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c1-6(2)7(9)10-5-3-4-8/h3-4H,1,5H2,2H3.
What are the key properties of 3-fluoroprop-2-enyl 2-methylprop-2-enoate?
3-fluoroprop-2-enyl 2-methylprop-2-enoate has a molecular weight of 144.14 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroprop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 67041236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).