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

C8H12F3N — CID 163409847

IUPAC(3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)[C@@]12CCC[C@@H]1CNC2
InChIInChI=1S/C8H12F3N/c9-8(10,11)7-3-1-2-6(7)4-12-5-7/h6,12H,1-5H2/t6-,7-/m1/s1
InChIKeyUAEDCNSUHWNQRT-RNFRBKRXSA-N
MW179.18 g/mol
LogP1.94
Rot. Bonds

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

(3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 163409847) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is (3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID163409847
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name(3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)[C@@]12CCC[C@@H]1CNC2
InChIInChI=1S/C8H12F3N/c9-8(10,11)7-3-1-2-6(7)4-12-5-7/h6,12H,1-5H2/t6-,7-/m1/s1
InChIKeyUAEDCNSUHWNQRT-RNFRBKRXSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

3-[1-(trifluoromethyl)cyclopropyl]pyrrolidine
CID 83906289
(1R,6R)-10-(trifluoromethyl)-8-azabicyclo[4.3.1]decan-10-ol
CID 98113046
1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol
CID 70541295
10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine
CID 167733073
1,2,3,4,5,6,7,7a-octahydroisoindole-3a,4-diol
CID 141422735
2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid
CID 18335043
tert-butyl (3aR)-3a-(trifluoromethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 134715872
[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanamine
CID 155095679
(3aS,7aS)-1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carbonitrile
CID 129493545
(2R,5S)-5-methyl-2-[1-(trifluoromethyl)cyclopropyl]piperidine
CID 169113557
1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ylmethanol
CID 75193259
(3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 120679190

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 163409847) is (3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is FC(F)(F)[C@@]12CCC[C@@H]1CNC2.
What is the InChIKey of (3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is UAEDCNSUHWNQRT-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)7-3-1-2-6(7)4-12-5-7/h6,12H,1-5H2/t6-,7-/m1/s1.
What are the key properties of (3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 179.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 163409847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).