2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane

C9H12F4O — CID 23405427

IUPAC2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane
SMILESC=CC1(C)CCCC(F)(C(F)(F)F)O1
InChIInChI=1S/C9H12F4O/c1-3-7(2)5-4-6-8(10,14-7)9(11,12)13/h3H,1,4-6H2,2H3
InChIKeyNXUGGTBCHJKRAN-UHFFFAOYSA-N
MW212.19 g/mol
LogP3.36
Rot. Bonds1

About 2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane

2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane (PubChem CID 23405427) has the molecular formula C9H12F4O and a molecular weight of 212.19 g/mol. Its IUPAC name is 2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane.

Molecular Properties

Compound Name2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane
PubChem CID23405427
Molecular FormulaC9H12F4O
Molecular Weight212.19 g/mol
Exact Mass212.08
IUPAC Name2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane
SMILESC=CC1(C)CCCC(F)(C(F)(F)F)O1
InChIInChI=1S/C9H12F4O/c1-3-7(2)5-4-6-8(10,14-7)9(11,12)13/h3H,1,4-6H2,2H3
InChIKeyNXUGGTBCHJKRAN-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane?
The IUPAC name of 2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane (CID 23405427) is 2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane.
What is the SMILES notation for 2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane?
The canonical SMILES for 2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane is C=CC1(C)CCCC(F)(C(F)(F)F)O1.
What is the InChIKey of 2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane?
The InChIKey is NXUGGTBCHJKRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4O/c1-3-7(2)5-4-6-8(10,14-7)9(11,12)13/h3H,1,4-6H2,2H3.
What are the key properties of 2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane?
2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane has a molecular weight of 212.19 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-fluoro-2-methyl-6-(trifluoromethyl)oxane is sourced from PubChem (CID 23405427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).