5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C12H10F6N2O2 — CID 56791913

IUPAC5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C12H10F6N2O2/c13-11(14,15)10(12(16,17)18)3-4-20(6-10)9(22)7-1-2-8(21)19-5-7/h1-2,5H,3-4,6H2,(H,19,21)
InChIKeyAUIGPAYOHVCRGR-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.33
Rot. Bonds1

About 5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56791913) has the molecular formula C12H10F6N2O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56791913
Molecular FormulaC12H10F6N2O2
Molecular Weight328.21 g/mol
Exact Mass328.06
IUPAC Name5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C12H10F6N2O2/c13-11(14,15)10(12(16,17)18)3-4-20(6-10)9(22)7-1-2-8(21)19-5-7/h1-2,5H,3-4,6H2,(H,19,21)
InChIKeyAUIGPAYOHVCRGR-UHFFFAOYSA-N
XLogP2.33
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 56791913) is 5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1.
What is the InChIKey of 5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is AUIGPAYOHVCRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N2O2/c13-11(14,15)10(12(16,17)18)3-4-20(6-10)9(22)7-1-2-8(21)19-5-7/h1-2,5H,3-4,6H2,(H,19,21).
What are the key properties of 5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 328.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56791913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).