3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one

C8H6F3NO — CID 166989109

IUPAC3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one
SMILESO=C1CCc2[nH]cc(C(F)(F)F)c21
InChIInChI=1S/C8H6F3NO/c9-8(10,11)4-3-12-5-1-2-6(13)7(4)5/h3,12H,1-2H2
InChIKeyMWBUXWWNNZGXNJ-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.16
Rot. Bonds

About 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one

3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one (PubChem CID 166989109) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one
PubChem CID166989109
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one
SMILESO=C1CCc2[nH]cc(C(F)(F)F)c21
InChIInChI=1S/C8H6F3NO/c9-8(10,11)4-3-12-5-1-2-6(13)7(4)5/h3,12H,1-2H2
InChIKeyMWBUXWWNNZGXNJ-UHFFFAOYSA-N
XLogP2.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one?
The IUPAC name of 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one (CID 166989109) is 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one.
What is the SMILES notation for 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one?
The canonical SMILES for 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one is O=C1CCc2[nH]cc(C(F)(F)F)c21.
What is the InChIKey of 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one?
The InChIKey is MWBUXWWNNZGXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c9-8(10,11)4-3-12-5-1-2-6(13)7(4)5/h3,12H,1-2H2.
What are the key properties of 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one?
3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one has a molecular weight of 189.14 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one is sourced from PubChem (CID 166989109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).