1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane

C8H13F3O2 — CID 151205663

IUPAC1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane
SMILESCC1(OCOCC(F)(F)F)CCC1
InChIInChI=1S/C8H13F3O2/c1-7(3-2-4-7)13-6-12-5-8(9,10)11/h2-6H2,1H3
InChIKeyNJFLQIHNAWIQDH-UHFFFAOYSA-N
MW198.18 g/mol
LogP2.48
Rot. Bonds4

About 1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane

1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane (PubChem CID 151205663) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane.

Molecular Properties

Compound Name1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane
PubChem CID151205663
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane
SMILESCC1(OCOCC(F)(F)F)CCC1
InChIInChI=1S/C8H13F3O2/c1-7(3-2-4-7)13-6-12-5-8(9,10)11/h2-6H2,1H3
InChIKeyNJFLQIHNAWIQDH-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(Ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane
CID 20826490
2-(Ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane
CID 21362172
1,1,2,2,3,4-Hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane
CID 23568264
1,1,1-Trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)pentane
CID 162541718

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane?
The IUPAC name of 1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane (CID 151205663) is 1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane.
What is the SMILES notation for 1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane?
The canonical SMILES for 1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane is CC1(OCOCC(F)(F)F)CCC1.
What is the InChIKey of 1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane?
The InChIKey is NJFLQIHNAWIQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-7(3-2-4-7)13-6-12-5-8(9,10)11/h2-6H2,1H3.
What are the key properties of 1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane?
1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane has a molecular weight of 198.18 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane is sourced from PubChem (CID 151205663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).