5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C13H16F3N3 — CID 121185716

IUPAC5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFC(F)(F)CN1CC2CN(c3ccccn3)CC2C1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)9-18-5-10-7-19(8-11(10)6-18)12-3-1-2-4-17-12/h1-4,10-11H,5-9H2
InChIKeyNBXHKGDLTQCMSE-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.01
Rot. Bonds2

About 5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 121185716) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID121185716
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFC(F)(F)CN1CC2CN(c3ccccn3)CC2C1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)9-18-5-10-7-19(8-11(10)6-18)12-3-1-2-4-17-12/h1-4,10-11H,5-9H2
InChIKeyNBXHKGDLTQCMSE-UHFFFAOYSA-N
XLogP2.01
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 16794395
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CID 44592587
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CID 736557
CID 736557
CID 11019020
CID 11019020
CID 590131
CID 590131
CID 658424
CID 658424
CID 829500
CID 829500
CID 2741795
CID 2741795
CID 2988804
CID 2988804
CID 2991205
CID 2991205
CID 2991705
CID 2991705
CID 9588635
CID 9588635

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 121185716) is 5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is FC(F)(F)CN1CC2CN(c3ccccn3)CC2C1.
What is the InChIKey of 5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is NBXHKGDLTQCMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c14-13(15,16)9-18-5-10-7-19(8-11(10)6-18)12-3-1-2-4-17-12/h1-4,10-11H,5-9H2.
What are the key properties of 5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 271.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121185716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).