cyclopentyl 2,2,2-trifluoroacetate

C7H9F3O2 — CID 522379

IUPACcyclopentyl 2,2,2-trifluoroacetate
SMILESO=C(OC1CCCC1)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c8-7(9,10)6(11)12-5-3-1-2-4-5/h5H,1-4H2
InChIKeyQCONYJQZFUESJD-UHFFFAOYSA-N
MW182.14 g/mol
LogP2.03
Rot. Bonds1

About cyclopentyl 2,2,2-trifluoroacetate

cyclopentyl 2,2,2-trifluoroacetate (PubChem CID 522379) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is cyclopentyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namecyclopentyl 2,2,2-trifluoroacetate
PubChem CID522379
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Namecyclopentyl 2,2,2-trifluoroacetate
SMILESO=C(OC1CCCC1)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c8-7(9,10)6(11)12-5-3-1-2-4-5/h5H,1-4H2
InChIKeyQCONYJQZFUESJD-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2,2,2-trifluoroacetate?
The IUPAC name of cyclopentyl 2,2,2-trifluoroacetate (CID 522379) is cyclopentyl 2,2,2-trifluoroacetate.
What is the SMILES notation for cyclopentyl 2,2,2-trifluoroacetate?
The canonical SMILES for cyclopentyl 2,2,2-trifluoroacetate is O=C(OC1CCCC1)C(F)(F)F.
What is the InChIKey of cyclopentyl 2,2,2-trifluoroacetate?
The InChIKey is QCONYJQZFUESJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c8-7(9,10)6(11)12-5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of cyclopentyl 2,2,2-trifluoroacetate?
cyclopentyl 2,2,2-trifluoroacetate has a molecular weight of 182.14 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 522379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).