3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane

C10H11F7O2 — CID 118236014

IUPAC3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane
SMILESCCC1(CO/C(=C(/F)C(F)(F)F)C(F)(F)F)COC1
InChIInChI=1S/C10H11F7O2/c1-2-8(3-18-4-8)5-19-7(10(15,16)17)6(11)9(12,13)14/h2-5H2,1H3/b7-6+
InChIKeyVWMWSTUEQXFDHV-VOTSOKGWSA-N
MW296.18 g/mol
LogP3.74
Rot. Bonds4

About 3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane

3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane (PubChem CID 118236014) has the molecular formula C10H11F7O2 and a molecular weight of 296.18 g/mol. Its IUPAC name is 3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane
PubChem CID118236014
Molecular FormulaC10H11F7O2
Molecular Weight296.18 g/mol
Exact Mass296.06
IUPAC Name3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane
SMILESCCC1(CO/C(=C(/F)C(F)(F)F)C(F)(F)F)COC1
InChIInChI=1S/C10H11F7O2/c1-2-8(3-18-4-8)5-19-7(10(15,16)17)6(11)9(12,13)14/h2-5H2,1H3/b7-6+
InChIKeyVWMWSTUEQXFDHV-VOTSOKGWSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane with MolForge

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Related Compounds

3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane
CID 11271083
(3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate
CID 155170717
[3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetan-3-yl]methanol
CID 141464010
(E)-4-[(3-ethyloxetan-3-yl)methoxy]-4-oxobut-2-enoic acid
CID 20682759
3-ethyl-3-(ethylperoxymethyl)oxetane
CID 151175316
CID 20529895
CID 20529895
3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane
CID 173479452
2-[4-[(3-ethyloxetan-3-yl)methoxy]-4-oxobutanoyl]oxy-3,3,3-trifluoropropane-1-sulfonic acid
CID 129061660
(3-ethyloxetan-3-yl)methyl N-butylcarbamate
CID 20682757
4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
CID 161051852
(3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate
CID 58963663
3-ethyl-3-(methoxymethyl)oxetane;3-(methoxymethyl)-3-methyloxetane
CID 159055138

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane (CID 118236014) is 3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane is CCC1(CO/C(=C(/F)C(F)(F)F)C(F)(F)F)COC1.
What is the InChIKey of 3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane?
The InChIKey is VWMWSTUEQXFDHV-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11F7O2/c1-2-8(3-18-4-8)5-19-7(10(15,16)17)6(11)9(12,13)14/h2-5H2,1H3/b7-6+.
What are the key properties of 3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane?
3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane has a molecular weight of 296.18 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[(E)-1,1,1,3,4,4,4-heptafluorobut-2-en-2-yl]oxymethyl]oxetane is sourced from PubChem (CID 118236014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).