2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C9H14F3N — CID 127448106

IUPAC2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)CN1CC2CCCC2C1
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-13-4-7-2-1-3-8(7)5-13/h7-8H,1-6H2
InChIKeyVIYLIEWKIXFRPB-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.28
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 127448106) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID127448106
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)CN1CC2CCCC2C1
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-13-4-7-2-1-3-8(7)5-13/h7-8H,1-6H2
InChIKeyVIYLIEWKIXFRPB-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101494997
cis-4,4-Difluorooctahydrocyclopenta[c]pyrrole
CID 55283149
cis-5,5-Difluorooctahydrocyclopenta[c]pyrrole
CID 55283150
CID 58944866
CID 58944866
5,5-Difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 58944878
(3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole
CID 71081824
4,4-Difluoro-octahydrocyclopenta[c]pyrrole
CID 71756392
5,5-Difluorooctahydrocyclopenta[c]pyrrole
CID 76223433
5-(Difluoromethyl)-octahydrocyclopenta[c]pyrrole
CID 84716781
4,4-Difluoro-2-methyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 130611944
4,4-Difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 130612774
2-Ethyl-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 131201154

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 127448106) is 2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is FC(F)(F)CN1CC2CCCC2C1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is VIYLIEWKIXFRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)6-13-4-7-2-1-3-8(7)5-13/h7-8H,1-6H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 193.21 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 127448106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).