2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate

C9H10F4O3 — CID 66631874

IUPAC2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1C(F)(F)OC1(F)F
InChIInChI=1S/C9H10F4O3/c1-5(2)7(14)15-4-3-6-8(10,11)16-9(6,12)13/h6H,1,3-4H2,2H3
InChIKeyGNCWGJBWFNIEFN-UHFFFAOYSA-N
MW242.17 g/mol
LogP2.33
Rot. Bonds4

About 2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate

2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate (PubChem CID 66631874) has the molecular formula C9H10F4O3 and a molecular weight of 242.17 g/mol. Its IUPAC name is 2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate
PubChem CID66631874
Molecular FormulaC9H10F4O3
Molecular Weight242.17 g/mol
Exact Mass242.06
IUPAC Name2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1C(F)(F)OC1(F)F
InChIInChI=1S/C9H10F4O3/c1-5(2)7(14)15-4-3-6-8(10,11)16-9(6,12)13/h6H,1,3-4H2,2H3
InChIKeyGNCWGJBWFNIEFN-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
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[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate
CID 158199846
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
[3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141277181
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate (CID 66631874) is 2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC1C(F)(F)OC1(F)F.
What is the InChIKey of 2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is GNCWGJBWFNIEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O3/c1-5(2)7(14)15-4-3-6-8(10,11)16-9(6,12)13/h6H,1,3-4H2,2H3.
What are the key properties of 2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate?
2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 242.17 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,4-tetrafluorooxetan-3-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 66631874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).