2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane

C10H13F5O2 — CID 152616165

IUPAC2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCC(C)=COCC1OC1(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F5O2/c1-6(2)4-16-5-7-8(3,17-7)9(11,12)10(13,14)15/h4,7H,5H2,1-3H3
InChIKeyZANVVDNGQOJZFH-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.28
Rot. Bonds4

About 2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane

2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane (PubChem CID 152616165) has the molecular formula C10H13F5O2 and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane.

Molecular Properties

Compound Name2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane
PubChem CID152616165
Molecular FormulaC10H13F5O2
Molecular Weight260.20 g/mol
Exact Mass260.08
IUPAC Name2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCC(C)=COCC1OC1(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F5O2/c1-6(2)4-16-5-7-8(3,17-7)9(11,12)10(13,14)15/h4,7H,5H2,1-3H3
InChIKeyZANVVDNGQOJZFH-UHFFFAOYSA-N
XLogP3.28
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane
CID 161410756

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The IUPAC name of 2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane (CID 152616165) is 2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane.
What is the SMILES notation for 2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The canonical SMILES for 2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane is CC(C)=COCC1OC1(C)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The InChIKey is ZANVVDNGQOJZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5O2/c1-6(2)4-16-5-7-8(3,17-7)9(11,12)10(13,14)15/h4,7H,5H2,1-3H3.
What are the key properties of 2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane has a molecular weight of 260.20 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane is sourced from PubChem (CID 152616165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).