2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane

C10H13F5O2 — CID 151062717

IUPAC2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane
SMILESCCC(=COCC1CCO1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F5O2/c1-2-7(9(11,12)10(13,14)15)5-16-6-8-3-4-17-8/h5,8H,2-4,6H2,1H3
InChIKeyMGMWQOLIGDRJNH-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.28
Rot. Bonds5

About 2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane

2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane (PubChem CID 151062717) has the molecular formula C10H13F5O2 and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane.

Molecular Properties

Compound Name2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane
PubChem CID151062717
Molecular FormulaC10H13F5O2
Molecular Weight260.20 g/mol
Exact Mass260.08
IUPAC Name2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane
SMILESCCC(=COCC1CCO1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F5O2/c1-2-7(9(11,12)10(13,14)15)5-16-6-8-3-4-17-8/h5,8H,2-4,6H2,1H3
InChIKeyMGMWQOLIGDRJNH-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Related Compounds

2-(2-Methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
CID 150355616
2-[2-(Trifluoromethyl)but-1-enoxymethyl]oxetane
CID 151158435
2-(Methoxymethyl)oxetane;2-(trifluoromethyl)but-1-ene
CID 160466244
2-(2-Methylprop-1-enoxymethyl)-4-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 150591151
2-[2-(Trifluoromethyl)but-1-enoxy]ethoxycyclobutane
CID 150889306

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane?
The IUPAC name of 2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane (CID 151062717) is 2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane.
What is the SMILES notation for 2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane?
The canonical SMILES for 2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane is CCC(=COCC1CCO1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane?
The InChIKey is MGMWQOLIGDRJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5O2/c1-2-7(9(11,12)10(13,14)15)5-16-6-8-3-4-17-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane?
2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane has a molecular weight of 260.20 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane is sourced from PubChem (CID 151062717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).