[1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate

C9H13F3O2 — CID 155710797

IUPAC[1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1(C(F)(F)F)CCC1
InChIInChI=1S/C9H13F3O2/c1-6(2)7(13)14-8(4-3-5-8)9(10,11)12/h6H,3-5H2,1-2H3
InChIKeyLJGTYVMASWLQKT-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.67
Rot. Bonds2

About [1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate

[1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate (PubChem CID 155710797) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate
PubChem CID155710797
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name[1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1(C(F)(F)F)CCC1
InChIInChI=1S/C9H13F3O2/c1-6(2)7(13)14-8(4-3-5-8)9(10,11)12/h6H,3-5H2,1-2H3
InChIKeyLJGTYVMASWLQKT-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate?
The IUPAC name of [1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate (CID 155710797) is [1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate.
What is the SMILES notation for [1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate?
The canonical SMILES for [1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate is CC(C)C(=O)OC1(C(F)(F)F)CCC1.
What is the InChIKey of [1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate?
The InChIKey is LJGTYVMASWLQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-6(2)7(13)14-8(4-3-5-8)9(10,11)12/h6H,3-5H2,1-2H3.
What are the key properties of [1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate?
[1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate has a molecular weight of 210.19 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclobutyl] 2-methylpropanoate is sourced from PubChem (CID 155710797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).