2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one

C12H18F3NO2 — CID 79543478

IUPAC2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1CCOC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)18-8-7-16-6-2-4-10(16)9-3-1-5-11(9)17/h9-10H,1-8H2
InChIKeyMFUZYESUKJQVEY-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.36
Rot. Bonds4

About 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one

2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79543478) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79543478
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1CCOC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)18-8-7-16-6-2-4-10(16)9-3-1-5-11(9)17/h9-10H,1-8H2
InChIKeyMFUZYESUKJQVEY-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 79543478) is 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1CCOC(F)(F)F.
What is the InChIKey of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is MFUZYESUKJQVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)18-8-7-16-6-2-4-10(16)9-3-1-5-11(9)17/h9-10H,1-8H2.
What are the key properties of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 265.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79543478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).