1-cyclopentylethyl 2,2,2-trifluoroacetate

C9H13F3O2 — CID 549601

IUPAC1-cyclopentylethyl 2,2,2-trifluoroacetate
SMILESCC(OC(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C9H13F3O2/c1-6(7-4-2-3-5-7)14-8(13)9(10,11)12/h6-7H,2-5H2,1H3
InChIKeyAKMGPBQDWRRTLN-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.67
Rot. Bonds2

About 1-cyclopentylethyl 2,2,2-trifluoroacetate

1-cyclopentylethyl 2,2,2-trifluoroacetate (PubChem CID 549601) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-cyclopentylethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-cyclopentylethyl 2,2,2-trifluoroacetate
PubChem CID549601
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name1-cyclopentylethyl 2,2,2-trifluoroacetate
SMILESCC(OC(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C9H13F3O2/c1-6(7-4-2-3-5-7)14-8(13)9(10,11)12/h6-7H,2-5H2,1H3
InChIKeyAKMGPBQDWRRTLN-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-cyclopentylethyl 2,2,2-trifluoroacetate?
The IUPAC name of 1-cyclopentylethyl 2,2,2-trifluoroacetate (CID 549601) is 1-cyclopentylethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 1-cyclopentylethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 1-cyclopentylethyl 2,2,2-trifluoroacetate is CC(OC(=O)C(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentylethyl 2,2,2-trifluoroacetate?
The InChIKey is AKMGPBQDWRRTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-6(7-4-2-3-5-7)14-8(13)9(10,11)12/h6-7H,2-5H2,1H3.
What are the key properties of 1-cyclopentylethyl 2,2,2-trifluoroacetate?
1-cyclopentylethyl 2,2,2-trifluoroacetate 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-cyclopentylethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 549601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).