1,1,2-trifluoro-3-methoxy-2-methylcyclobutane

C6H9F3O — CID 176704630

IUPAC1,1,2-trifluoro-3-methoxy-2-methylcyclobutane
SMILESCOC1CC(F)(F)C1(C)F
InChIInChI=1S/C6H9F3O/c1-5(7)4(10-2)3-6(5,8)9/h4H,3H2,1-2H3
InChIKeyFWHNGLKJPDMYJI-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.77
Rot. Bonds1

About 1,1,2-trifluoro-3-methoxy-2-methylcyclobutane

1,1,2-trifluoro-3-methoxy-2-methylcyclobutane (PubChem CID 176704630) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 1,1,2-trifluoro-3-methoxy-2-methylcyclobutane.

Molecular Properties

Compound Name1,1,2-trifluoro-3-methoxy-2-methylcyclobutane
PubChem CID176704630
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name1,1,2-trifluoro-3-methoxy-2-methylcyclobutane
SMILESCOC1CC(F)(F)C1(C)F
InChIInChI=1S/C6H9F3O/c1-5(7)4(10-2)3-6(5,8)9/h4H,3H2,1-2H3
InChIKeyFWHNGLKJPDMYJI-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-3-methoxy-2-methylcyclobutane?
The IUPAC name of 1,1,2-trifluoro-3-methoxy-2-methylcyclobutane (CID 176704630) is 1,1,2-trifluoro-3-methoxy-2-methylcyclobutane.
What is the SMILES notation for 1,1,2-trifluoro-3-methoxy-2-methylcyclobutane?
The canonical SMILES for 1,1,2-trifluoro-3-methoxy-2-methylcyclobutane is COC1CC(F)(F)C1(C)F.
What is the InChIKey of 1,1,2-trifluoro-3-methoxy-2-methylcyclobutane?
The InChIKey is FWHNGLKJPDMYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-5(7)4(10-2)3-6(5,8)9/h4H,3H2,1-2H3.
What are the key properties of 1,1,2-trifluoro-3-methoxy-2-methylcyclobutane?
1,1,2-trifluoro-3-methoxy-2-methylcyclobutane has a molecular weight of 154.13 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-3-methoxy-2-methylcyclobutane is sourced from PubChem (CID 176704630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).