cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid

C12H18F3NO3 — CID 69432753

IUPACcyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCCC1)C1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17NO.C2HF3O2/c12-10(8-4-1-2-5-8)9-6-3-7-11-9;3-2(4,5)1(6)7/h8-9,11H,1-7H2;(H,6,7)
InChIKeyZHWSWKXDJXAAEX-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.13
Rot. Bonds2

About cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid

cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 69432753) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID69432753
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Namecyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCCC1)C1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17NO.C2HF3O2/c12-10(8-4-1-2-5-8)9-6-3-7-11-9;3-2(4,5)1(6)7/h8-9,11H,1-7H2;(H,6,7)
InChIKeyZHWSWKXDJXAAEX-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 69432753) is cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid is O=C(C1CCCC1)C1CCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is ZHWSWKXDJXAAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C2HF3O2/c12-10(8-4-1-2-5-8)9-6-3-7-11-9;3-2(4,5)1(6)7/h8-9,11H,1-7H2;(H,6,7).
What are the key properties of cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid?
cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 281.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69432753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).