2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate

C9H13F3O3 — CID 121324189

IUPAC2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC(F)(F)F
InChIInChI=1S/C9H13F3O3/c1-7(2)8(13)15-6-5-14-4-3-9(10,11)12/h1,3-6H2,2H3
InChIKeyAQOAURPGRQERQI-UHFFFAOYSA-N
MW226.19 g/mol
LogP2.07
Rot. Bonds6

About 2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate

2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate (PubChem CID 121324189) has the molecular formula C9H13F3O3 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate
PubChem CID121324189
Molecular FormulaC9H13F3O3
Molecular Weight226.19 g/mol
Exact Mass226.08
IUPAC Name2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC(F)(F)F
InChIInChI=1S/C9H13F3O3/c1-7(2)8(13)15-6-5-14-4-3-9(10,11)12/h1,3-6H2,2H3
InChIKeyAQOAURPGRQERQI-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778
2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate
CID 87414433
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate (CID 121324189) is 2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is AQOAURPGRQERQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O3/c1-7(2)8(13)15-6-5-14-4-3-9(10,11)12/h1,3-6H2,2H3.
What are the key properties of 2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate?
2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 226.19 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 121324189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).