N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide

C10H15F3N2O — CID 87462600

IUPACN-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide
SMILESO=C(NCC(F)(F)F)C1CC2CNCC2C1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)5-15-9(16)6-1-7-3-14-4-8(7)2-6/h6-8,14H,1-5H2,(H,15,16)
InChIKeyROKOKIFSZHNKOV-UHFFFAOYSA-N
MW236.24 g/mol
LogP0.91
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide

N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide (PubChem CID 87462600) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide
PubChem CID87462600
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide
SMILESO=C(NCC(F)(F)F)C1CC2CNCC2C1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)5-15-9(16)6-1-7-3-14-4-8(7)2-6/h6-8,14H,1-5H2,(H,15,16)
InChIKeyROKOKIFSZHNKOV-UHFFFAOYSA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide
CID 59403312
N-(2,2,2-trifluoroethyl)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.3.0]octane-7-carboxamide
CID 68466927
2,2,2-trifluoroacetic acid;N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide
CID 87462599
2-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 65893945
3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 81720281
5-fluoro-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one
CID 84716269
5,5-Difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
CID 84716766
N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890419
N-(3,3,3-trifluoropropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893063
N-(2,2-difluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893494
N-(4,4,4-trifluorobutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893504
N-(5,5,5-trifluoropentyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893506

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide (CID 87462600) is N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide is O=C(NCC(F)(F)F)C1CC2CNCC2C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide?
The InChIKey is ROKOKIFSZHNKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)5-15-9(16)6-1-7-3-14-4-8(7)2-6/h6-8,14H,1-5H2,(H,15,16).
What are the key properties of N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide?
N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide has a molecular weight of 236.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide is sourced from PubChem (CID 87462600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).