(3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride

C8H13ClF3N — CID 126836660

IUPAC(3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride
SMILESCl.FC(F)(F)[C@]12CCC[C@H]1CNC2
InChIInChI=1S/C8H12F3N.ClH/c9-8(10,11)7-3-1-2-6(7)4-12-5-7;/h6,12H,1-5H2;1H/t6-,7-;/m0./s1
InChIKeyPASQNUWYVXKKRW-LEUCUCNGSA-N
MW215.65 g/mol
LogP2.36
Rot. Bonds

About (3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride

(3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride (PubChem CID 126836660) has the molecular formula C8H13ClF3N and a molecular weight of 215.65 g/mol. Its IUPAC name is (3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride.

Molecular Properties

Compound Name(3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride
PubChem CID126836660
Molecular FormulaC8H13ClF3N
Molecular Weight215.65 g/mol
Exact Mass215.07
IUPAC Name(3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride
SMILESCl.FC(F)(F)[C@]12CCC[C@H]1CNC2
InChIInChI=1S/C8H12F3N.ClH/c9-8(10,11)7-3-1-2-6(7)4-12-5-7;/h6,12H,1-5H2;1H/t6-,7-;/m0./s1
InChIKeyPASQNUWYVXKKRW-LEUCUCNGSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

rac-(3aR,6aS)-5,5-difluoro-octahydrocyclopenta(c)pyrrole hydrochloride
CID 91933766
6,6-Difluoro-2-azaspiro[4.4]nonane hydrochloride
CID 105451191
7,7-Difluoro-2-azaspiro[4.4]nonane hydrochloride
CID 105451192
rac-(3aR,6aS)-4,4-difluoro-octahydrocyclopenta[c]pyrrole hydrochloride
CID 132344001
(3aR,5R,6aS)-5-fluoro-octahydrocyclopenta[c]pyrrole
CID 55279177
cis-4,4-Difluorooctahydrocyclopenta[c]pyrrole
CID 55283149
cis-5,5-Difluorooctahydrocyclopenta[c]pyrrole
CID 55283150
(3aS,6aS)-6,6-difluoro-3a-iodo-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrole
CID 71081870
4,4-Difluoro-octahydrocyclopenta[c]pyrrole
CID 71756392
5-Fluoro-octahydrocyclopenta[c]pyrrole
CID 76223029
5,5-Difluorooctahydrocyclopenta[c]pyrrole
CID 76223433
5-(Difluoromethyl)-octahydrocyclopenta[c]pyrrole
CID 84716781

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
The IUPAC name of (3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride (CID 126836660) is (3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride.
What is the SMILES notation for (3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
The canonical SMILES for (3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride is Cl.FC(F)(F)[C@]12CCC[C@H]1CNC2.
What is the InChIKey of (3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
The InChIKey is PASQNUWYVXKKRW-LEUCUCNGSA-N. The full InChI is InChI=1S/C8H12F3N.ClH/c9-8(10,11)7-3-1-2-6(7)4-12-5-7;/h6,12H,1-5H2;1H/t6-,7-;/m0./s1.
What are the key properties of (3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
(3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride has a molecular weight of 215.65 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride is sourced from PubChem (CID 126836660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).