(1-ethylcyclopentyl) 2,2,3-trifluoropropanoate

C10H15F3O2 — CID 59222809

IUPAC(1-ethylcyclopentyl) 2,2,3-trifluoropropanoate
SMILESCCC1(OC(=O)C(F)(F)CF)CCCC1
InChIInChI=1S/C10H15F3O2/c1-2-9(5-3-4-6-9)15-8(14)10(12,13)7-11/h2-7H2,1H3
InChIKeyUGWWSXYJCLUONV-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.86
Rot. Bonds4

About (1-ethylcyclopentyl) 2,2,3-trifluoropropanoate

(1-ethylcyclopentyl) 2,2,3-trifluoropropanoate (PubChem CID 59222809) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2,2,3-trifluoropropanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2,2,3-trifluoropropanoate
PubChem CID59222809
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name(1-ethylcyclopentyl) 2,2,3-trifluoropropanoate
SMILESCCC1(OC(=O)C(F)(F)CF)CCCC1
InChIInChI=1S/C10H15F3O2/c1-2-9(5-3-4-6-9)15-8(14)10(12,13)7-11/h2-7H2,1H3
InChIKeyUGWWSXYJCLUONV-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2,2,3-trifluoropropanoate?
The IUPAC name of (1-ethylcyclopentyl) 2,2,3-trifluoropropanoate (CID 59222809) is (1-ethylcyclopentyl) 2,2,3-trifluoropropanoate.
What is the SMILES notation for (1-ethylcyclopentyl) 2,2,3-trifluoropropanoate?
The canonical SMILES for (1-ethylcyclopentyl) 2,2,3-trifluoropropanoate is CCC1(OC(=O)C(F)(F)CF)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2,2,3-trifluoropropanoate?
The InChIKey is UGWWSXYJCLUONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-2-9(5-3-4-6-9)15-8(14)10(12,13)7-11/h2-7H2,1H3.
What are the key properties of (1-ethylcyclopentyl) 2,2,3-trifluoropropanoate?
(1-ethylcyclopentyl) 2,2,3-trifluoropropanoate has a molecular weight of 224.22 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2,2,3-trifluoropropanoate is sourced from PubChem (CID 59222809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).