2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone

C8H10F3NO — CID 53406242

IUPAC2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone
SMILESCNC1=C(C(=O)C(F)(F)F)CCC1
InChIInChI=1S/C8H10F3NO/c1-12-6-4-2-3-5(6)7(13)8(9,10)11/h12H,2-4H2,1H3
InChIKeyHXWDEMXXIZGPRZ-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.78
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone

2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone (PubChem CID 53406242) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone
PubChem CID53406242
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone
SMILESCNC1=C(C(=O)C(F)(F)F)CCC1
InChIInChI=1S/C8H10F3NO/c1-12-6-4-2-3-5(6)7(13)8(9,10)11/h12H,2-4H2,1H3
InChIKeyHXWDEMXXIZGPRZ-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone (CID 53406242) is 2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone is CNC1=C(C(=O)C(F)(F)F)CCC1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone?
The InChIKey is HXWDEMXXIZGPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-12-6-4-2-3-5(6)7(13)8(9,10)11/h12H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone?
2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone has a molecular weight of 193.17 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(methylamino)cyclopenten-1-yl]ethanone is sourced from PubChem (CID 53406242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).