2,2,2-trifluoroethyl cyclopentanecarboxylate

C8H11F3O2 — CID 86173867

IUPAC2,2,2-trifluoroethyl cyclopentanecarboxylate
SMILESO=C(OCC(F)(F)F)C1CCCC1
InChIInChI=1S/C8H11F3O2/c9-8(10,11)5-13-7(12)6-3-1-2-4-6/h6H,1-5H2
InChIKeyVRKZDJRAARUPSB-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.28
Rot. Bonds2

About 2,2,2-trifluoroethyl cyclopentanecarboxylate

2,2,2-trifluoroethyl cyclopentanecarboxylate (PubChem CID 86173867) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl cyclopentanecarboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl cyclopentanecarboxylate
PubChem CID86173867
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name2,2,2-trifluoroethyl cyclopentanecarboxylate
SMILESO=C(OCC(F)(F)F)C1CCCC1
InChIInChI=1S/C8H11F3O2/c9-8(10,11)5-13-7(12)6-3-1-2-4-6/h6H,1-5H2
InChIKeyVRKZDJRAARUPSB-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl cyclopentanecarboxylate?
The IUPAC name of 2,2,2-trifluoroethyl cyclopentanecarboxylate (CID 86173867) is 2,2,2-trifluoroethyl cyclopentanecarboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl cyclopentanecarboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl cyclopentanecarboxylate is O=C(OCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2,2,2-trifluoroethyl cyclopentanecarboxylate?
The InChIKey is VRKZDJRAARUPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c9-8(10,11)5-13-7(12)6-3-1-2-4-6/h6H,1-5H2.
What are the key properties of 2,2,2-trifluoroethyl cyclopentanecarboxylate?
2,2,2-trifluoroethyl cyclopentanecarboxylate has a molecular weight of 196.17 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl cyclopentanecarboxylate is sourced from PubChem (CID 86173867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).