ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate

C9H15FO2 — CID 102639291

IUPACethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate
SMILESC=CC(C)(CCF)C(=O)OCC
InChIInChI=1S/C9H15FO2/c1-4-9(3,6-7-10)8(11)12-5-2/h4H,1,5-7H2,2-3H3
InChIKeyDKNCFIXRTOFQLU-UHFFFAOYSA-N
MW174.21 g/mol
LogP2.10
Rot. Bonds5

About ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate

ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate (PubChem CID 102639291) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate.

Molecular Properties

Compound Nameethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate
PubChem CID102639291
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Nameethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate
SMILESC=CC(C)(CCF)C(=O)OCC
InChIInChI=1S/C9H15FO2/c1-4-9(3,6-7-10)8(11)12-5-2/h4H,1,5-7H2,2-3H3
InChIKeyDKNCFIXRTOFQLU-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-(2-fluoroethyl)-2-methylbut-3-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

ethyl 2-ethenyl-2,5,5-trimethylhexanoate
CID 102638995
ethyl 2-ethenyl-2-methylnon-8-enoate
CID 107007961
ethyl 2-methyl-2-(2-propan-2-ylsulfonylethyl)but-3-enoate
CID 106727890
2-ethoxycarbonyl-4-fluoro-2-methylbutanoic acid
CID 103973740
ethyl 2-[(3,5-dimethylphenyl)methyl]-2-methylbut-3-enoate
CID 102639297
pentyl 2-ethenyl-2-methylheptanoate
CID 87812089
ethyl 2-fluoro-2-phosphanylbut-3-enoate
CID 126490595
ethyl 2-[(4,6-dichloro-3-pyridinyl)methyl]-2-methylbut-3-enoate
CID 102639223
ethyl 2-ethenyl-4-ethyl-2-methyloctanoate
CID 102638961
ethyl 2,2-dimethylhex-5-enoate
CID 14906730
diethyl 2-(4-fluorobutyl)-2-methylpropanedioate
CID 58960446
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate?
The IUPAC name of ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate (CID 102639291) is ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate.
What is the SMILES notation for ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate?
The canonical SMILES for ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate is C=CC(C)(CCF)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate?
The InChIKey is DKNCFIXRTOFQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2/c1-4-9(3,6-7-10)8(11)12-5-2/h4H,1,5-7H2,2-3H3.
What are the key properties of ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate?
ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate has a molecular weight of 174.21 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate is sourced from PubChem (CID 102639291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).