1-methyl-3-(trifluoromethoxy)cyclobutane

C6H9F3O — CID 122534053

IUPAC1-methyl-3-(trifluoromethoxy)cyclobutane
SMILESCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C6H9F3O/c1-4-2-5(3-4)10-6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyFWIPTUNUCABWOR-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.32
Rot. Bonds1

About 1-methyl-3-(trifluoromethoxy)cyclobutane

1-methyl-3-(trifluoromethoxy)cyclobutane (PubChem CID 122534053) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethoxy)cyclobutane.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethoxy)cyclobutane
PubChem CID122534053
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name1-methyl-3-(trifluoromethoxy)cyclobutane
SMILESCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C6H9F3O/c1-4-2-5(3-4)10-6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyFWIPTUNUCABWOR-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethoxy)cyclobutane?
The IUPAC name of 1-methyl-3-(trifluoromethoxy)cyclobutane (CID 122534053) is 1-methyl-3-(trifluoromethoxy)cyclobutane.
What is the SMILES notation for 1-methyl-3-(trifluoromethoxy)cyclobutane?
The canonical SMILES for 1-methyl-3-(trifluoromethoxy)cyclobutane is CC1CC(OC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethoxy)cyclobutane?
The InChIKey is FWIPTUNUCABWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-4-2-5(3-4)10-6(7,8)9/h4-5H,2-3H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethoxy)cyclobutane?
1-methyl-3-(trifluoromethoxy)cyclobutane has a molecular weight of 154.13 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethoxy)cyclobutane is sourced from PubChem (CID 122534053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).