1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane

C11H17F3O2 — CID 157167374

IUPAC1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane
SMILESCCC(=CC1(OCOC)CCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-3-9(11(12,13)14)7-10(5-4-6-10)16-8-15-2/h7H,3-6,8H2,1-2H3
InChIKeyANBMHZIPFZHUQO-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.43
Rot. Bonds5

About 1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane

1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane (PubChem CID 157167374) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane.

Molecular Properties

Compound Name1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane
PubChem CID157167374
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane
SMILESCCC(=CC1(OCOC)CCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-3-9(11(12,13)14)7-10(5-4-6-10)16-8-15-2/h7H,3-6,8H2,1-2H3
InChIKeyANBMHZIPFZHUQO-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane?
The IUPAC name of 1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane (CID 157167374) is 1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane.
What is the SMILES notation for 1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane?
The canonical SMILES for 1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane is CCC(=CC1(OCOC)CCC1)C(F)(F)F.
What is the InChIKey of 1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane?
The InChIKey is ANBMHZIPFZHUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-3-9(11(12,13)14)7-10(5-4-6-10)16-8-15-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane?
1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane has a molecular weight of 238.25 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-1-[2-(trifluoromethyl)but-1-enyl]cyclobutane is sourced from PubChem (CID 157167374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).