2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane

C11H17F3O2 — CID 150889306

IUPAC2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane
SMILESCCC(=COCCOC1CCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-2-9(11(12,13)14)8-15-6-7-16-10-4-3-5-10/h8,10H,2-7H2,1H3
InChIKeyKXRNJDLJZAATSJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.43
Rot. Bonds6

About 2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane

2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane (PubChem CID 150889306) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane
PubChem CID150889306
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane
SMILESCCC(=COCCOC1CCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-2-9(11(12,13)14)8-15-6-7-16-10-4-3-5-10/h8,10H,2-7H2,1H3
InChIKeyKXRNJDLJZAATSJ-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)methyl]oxetane
CID 151062717
2-[2-(Trifluoromethyl)but-1-enoxymethyl]oxetane
CID 151158435
2-(Methoxymethyl)oxetane;2-(trifluoromethyl)but-1-ene
CID 160466244
2-Methyl-3-[2-(trifluoromethyl)but-1-enoxymethyl]oxirane
CID 161377917
2-(2-Ethylbut-1-enoxy)ethoxycyclobutane
CID 151005053
2-(2-Methylprop-1-enoxy)ethoxycyclobutane
CID 151499335

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane?
The IUPAC name of 2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane (CID 150889306) is 2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane.
What is the SMILES notation for 2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane?
The canonical SMILES for 2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane is CCC(=COCCOC1CCC1)C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane?
The InChIKey is KXRNJDLJZAATSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-2-9(11(12,13)14)8-15-6-7-16-10-4-3-5-10/h8,10H,2-7H2,1H3.
What are the key properties of 2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane?
2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane has a molecular weight of 238.25 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)but-1-enoxy]ethoxycyclobutane is sourced from PubChem (CID 150889306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).