2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene

C13H21F5O2 — CID 157206898

IUPAC2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene
SMILESC=C(C)C.CCOCCC1(C(F)(F)C(F)(F)F)CCO1
InChIInChI=1S/C9H13F5O2.C4H8/c1-2-15-5-3-7(4-6-16-7)8(10,11)9(12,13)14;1-4(2)3/h2-6H2,1H3;1H2,2-3H3
InChIKeyARLORVCOZQSWJF-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.35
Rot. Bonds5

About 2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene

2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene (PubChem CID 157206898) has the molecular formula C13H21F5O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene
PubChem CID157206898
Molecular FormulaC13H21F5O2
Molecular Weight304.30 g/mol
Exact Mass304.15
IUPAC Name2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene
SMILESC=C(C)C.CCOCCC1(C(F)(F)C(F)(F)F)CCO1
InChIInChI=1S/C9H13F5O2.C4H8/c1-2-15-5-3-7(4-6-16-7)8(10,11)9(12,13)14;1-4(2)3/h2-6H2,1H3;1H2,2-3H3
InChIKeyARLORVCOZQSWJF-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;2-methylprop-1-ene
CID 19913928
ethyl 2-(trifluoromethyl)oxetane-2-carboxylate
CID 90345789
[1-(2-ethoxyethyl)cyclopentyl]methanol
CID 66023683
N-(2-ethoxyethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212436
1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane
CID 70544538
1,2-diethoxyethane;oxirane
CID 159897663
[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine
CID 104509396
(3S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 100757302
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
3-(chloromethyl)-3-(2-ethoxyethyl)oxane
CID 66036187
3-(bromomethyl)-3-(2-ethoxyethyl)oxane
CID 66042265
2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]oxetan-2-yl]ethyl 2-methylprop-2-enoate
CID 151986382

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene?
The IUPAC name of 2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene (CID 157206898) is 2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene.
What is the SMILES notation for 2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene?
The canonical SMILES for 2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene is C=C(C)C.CCOCCC1(C(F)(F)C(F)(F)F)CCO1.
What is the InChIKey of 2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene?
The InChIKey is ARLORVCOZQSWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5O2.C4H8/c1-2-15-5-3-7(4-6-16-7)8(10,11)9(12,13)14;1-4(2)3/h2-6H2,1H3;1H2,2-3H3.
What are the key properties of 2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene?
2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene has a molecular weight of 304.30 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene is sourced from PubChem (CID 157206898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).