2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane

C10H15F3O3 — CID 159771224

IUPAC2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane
SMILESC=C(C)C.FC(F)(F)CC1OC1OC1CO1
InChIInChI=1S/C6H7F3O3.C4H8/c7-6(8,9)1-3-5(11-3)12-4-2-10-4;1-4(2)3/h3-5H,1-2H2;1H2,2-3H3
InChIKeyNGDFWSJQYMCGHE-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.62
Rot. Bonds3

About 2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane

2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane (PubChem CID 159771224) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane.

Molecular Properties

Compound Name2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane
PubChem CID159771224
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane
SMILESC=C(C)C.FC(F)(F)CC1OC1OC1CO1
InChIInChI=1S/C6H7F3O3.C4H8/c7-6(8,9)1-3-5(11-3)12-4-2-10-4;1-4(2)3/h3-5H,1-2H2;1H2,2-3H3
InChIKeyNGDFWSJQYMCGHE-UHFFFAOYSA-N
XLogP2.62
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-(2,2,2-trifluoroethyl)oxirane
CID 139912968
2-(2,2,2-trifluoroethyl)oxirane
CID 2782635
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
[(2R,3R,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris(2-methylprop-2-enoyloxy)oxan-3-yl]oxy-5-(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate
CID 67425950
2-(2-methylprop-1-enoxy)oxirane
CID 174917299
[(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol
CID 70806162
2-(2-methoxy-2-methylpropyl)oxirane
CID 18626422
4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane
CID 67926548
2-[2-(2-fluoroprop-1-enoxy)-2-methylpropyl]oxirane
CID 131993565
[(2R,3S,4S,5R,6R)-6-[[(3R,3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 101354539
[(2S,3R,4R,5S)-4,5-diacetyloxy-3-(trifluoromethyl)oxolan-2-yl]methyl acetate
CID 11001971

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane?
The IUPAC name of 2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane (CID 159771224) is 2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane.
What is the SMILES notation for 2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane?
The canonical SMILES for 2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane is C=C(C)C.FC(F)(F)CC1OC1OC1CO1.
What is the InChIKey of 2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane?
The InChIKey is NGDFWSJQYMCGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O3.C4H8/c7-6(8,9)1-3-5(11-3)12-4-2-10-4;1-4(2)3/h3-5H,1-2H2;1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane?
2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane has a molecular weight of 240.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;2-(oxiran-2-yloxy)-3-(2,2,2-trifluoroethyl)oxirane is sourced from PubChem (CID 159771224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).