[1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate

C10H15F3O2 — CID 155207617

IUPAC[1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1(C(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3O2/c1-7(2)8(14)15-9(10(11,12)13)5-3-4-6-9/h7H,3-6H2,1-2H3
InChIKeyMHTFZSYWYQBZBL-UHFFFAOYSA-N
MW224.22 g/mol
LogP3.06
Rot. Bonds2

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

[1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate (PubChem CID 155207617) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate
PubChem CID155207617
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name[1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1(C(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3O2/c1-7(2)8(14)15-9(10(11,12)13)5-3-4-6-9/h7H,3-6H2,1-2H3
InChIKeyMHTFZSYWYQBZBL-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate?
The IUPAC name of [1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate (CID 155207617) is [1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate.
What is the SMILES notation for [1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate?
The canonical SMILES for [1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate is CC(C)C(=O)OC1(C(F)(F)F)CCCC1.
What is the InChIKey of [1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate?
The InChIKey is MHTFZSYWYQBZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-7(2)8(14)15-9(10(11,12)13)5-3-4-6-9/h7H,3-6H2,1-2H3.
What are the key properties of [1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate?
[1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate has a molecular weight of 224.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclopentyl] 2-methylpropanoate is sourced from PubChem (CID 155207617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).