[2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate

C13H15F7O3 — CID 146493161

IUPAC[2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC1(C)OC(C(F)(F)F)(C(F)(F)F)C(C)(C)C1C
InChIInChI=1S/C13H15F7O3/c1-6(14)8(21)22-10(5)7(2)9(3,4)11(23-10,12(15,16)17)13(18,19)20/h7H,1H2,2-5H3
InChIKeyBVGQZSRVUBBMMP-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.28
Rot. Bonds2

About [2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate

[2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate (PubChem CID 146493161) has the molecular formula C13H15F7O3 and a molecular weight of 352.25 g/mol. Its IUPAC name is [2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name[2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate
PubChem CID146493161
Molecular FormulaC13H15F7O3
Molecular Weight352.25 g/mol
Exact Mass352.09
IUPAC Name[2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC1(C)OC(C(F)(F)F)(C(F)(F)F)C(C)(C)C1C
InChIInChI=1S/C13H15F7O3/c1-6(14)8(21)22-10(5)7(2)9(3,4)11(23-10,12(15,16)17)13(18,19)20/h7H,1H2,2-5H3
InChIKeyBVGQZSRVUBBMMP-UHFFFAOYSA-N
XLogP4.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.28
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

(2-methyl-2-adamantyl) 2-fluoroprop-2-enoate
CID 58662880
(1-methyl-4-propan-2-ylcyclohexyl) 2-fluoroprop-2-enoate
CID 69329471
[2-[[4,4-dimethyl-2,5,5-tris(trifluoromethyl)-1,3-dioxolan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 88895128
[2,3-dimethyl-3-(trifluoromethyl)oxiran-2-yl] but-2-enoate
CID 151427211
1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate
CID 19741879
[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate
CID 88604704
(1-methylcyclohexyl) 2-(trifluoromethoxymethyl)prop-2-enoate
CID 23572097
trimethylsilylmethyl 2-fluoroprop-2-enoate
CID 71339155
3-ethylpentan-3-yl 2-fluoroprop-2-enoate
CID 122693494
iodo 2-fluoroprop-2-enoate
CID 166890088
[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate
CID 166810413
[5-methyl-5-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxycyclodecyl] 2-methylprop-2-enoate
CID 129118859

Frequently Asked Questions

What is the IUPAC name of [2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate?
The IUPAC name of [2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate (CID 146493161) is [2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate.
What is the SMILES notation for [2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate?
The canonical SMILES for [2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate is C=C(F)C(=O)OC1(C)OC(C(F)(F)F)(C(F)(F)F)C(C)(C)C1C.
What is the InChIKey of [2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate?
The InChIKey is BVGQZSRVUBBMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F7O3/c1-6(14)8(21)22-10(5)7(2)9(3,4)11(23-10,12(15,16)17)13(18,19)20/h7H,1H2,2-5H3.
What are the key properties of [2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate?
[2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate has a molecular weight of 352.25 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,4-tetramethyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2-fluoroprop-2-enoate is sourced from PubChem (CID 146493161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).