ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate

C9H11F5O3 — CID 139681010

IUPACethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate
SMILESC=C(COCC(F)(F)C(F)(F)F)C(=O)OCC
InChIInChI=1S/C9H11F5O3/c1-3-17-7(15)6(2)4-16-5-8(10,11)9(12,13)14/h2-5H2,1H3
InChIKeyQABFSUJOEPBDKH-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.32
Rot. Bonds6

About ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate

ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate (PubChem CID 139681010) has the molecular formula C9H11F5O3 and a molecular weight of 262.17 g/mol. Its IUPAC name is ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate
PubChem CID139681010
Molecular FormulaC9H11F5O3
Molecular Weight262.17 g/mol
Exact Mass262.06
IUPAC Nameethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate
SMILESC=C(COCC(F)(F)C(F)(F)F)C(=O)OCC
InChIInChI=1S/C9H11F5O3/c1-3-17-7(15)6(2)4-16-5-8(10,11)9(12,13)14/h2-5H2,1H3
InChIKeyQABFSUJOEPBDKH-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)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

ethyl 2-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]methyl]prop-2-enoate
CID 168844951
ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate
CID 141483564
propyl 2-(2,2,2-trifluoroethoxymethyl)prop-2-enoate
CID 139680991
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
ethyl 2-(methoxymethoxymethyl)prop-2-enoate
CID 15153939
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
2-(2,2,3,3,3-pentafluoropropoxy)acetamide
CID 103725375
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate
CID 112586950
ethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-hentetracontafluoro-2-methylidenetricosanoate
CID 54135075
ethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-methylidenetridecanoate
CID 54321741
ethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tricosafluoro-2-methylidenetetradecanoate
CID 54406577
ethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptacosafluoro-2-methylidenehexadecanoate
CID 54570793

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate (CID 139681010) is ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate is C=C(COCC(F)(F)C(F)(F)F)C(=O)OCC.
What is the InChIKey of ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate?
The InChIKey is QABFSUJOEPBDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O3/c1-3-17-7(15)6(2)4-16-5-8(10,11)9(12,13)14/h2-5H2,1H3.
What are the key properties of ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate?
ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate has a molecular weight of 262.17 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate is sourced from PubChem (CID 139681010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).