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

C9H11F3O4 — CID 87414433

IUPAC2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)CC(F)(F)F
InChIInChI=1S/C9H11F3O4/c1-6(2)8(14)16-4-3-15-7(13)5-9(10,11)12/h1,3-5H2,2H3
InChIKeySCZXSMUKSSIVPS-UHFFFAOYSA-N
MW240.18 g/mol
LogP1.60
Rot. Bonds5

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

2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 87414433) has the molecular formula C9H11F3O4 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate
PubChem CID87414433
Molecular FormulaC9H11F3O4
Molecular Weight240.18 g/mol
Exact Mass240.06
IUPAC Name2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)CC(F)(F)F
InChIInChI=1S/C9H11F3O4/c1-6(2)8(14)16-4-3-15-7(13)5-9(10,11)12/h1,3-5H2,2H3
InChIKeySCZXSMUKSSIVPS-UHFFFAOYSA-N
XLogP1.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

bis[2-(2,2-dimethylbutanoyloxy)ethyl] butanedioate;bis[2-(2,2-dimethylbutanoyloxy)ethyl] 3,3-difluoropentanedioate;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;methane;bis(2-(3,3,3-trifluoropropanoyloxy)ethyl 2,2-dimethylbutanoate)
CID 158595260
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate
CID 121324189
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
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
2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate
CID 89274312
5-O-(1,1,1,2,3,3,3-heptafluoropropan-2-yl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 59746087
ethene;[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 173091400
1,1,1,3,3,3-hexafluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]propan-2-olate
CID 162509327

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate (CID 87414433) is 2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)CC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is SCZXSMUKSSIVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O4/c1-6(2)8(14)16-4-3-15-7(13)5-9(10,11)12/h1,3-5H2,2H3.
What are the key properties of 2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate?
2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 240.18 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87414433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).