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

C10H16F3N — CID 135190990

IUPAC(3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1C[C@@H]2CN(CC(F)(F)F)C[C@@H]2C1
InChIInChI=1S/C10H16F3N/c1-7-2-8-4-14(5-9(8)3-7)6-10(11,12)13/h7-9H,2-6H2,1H3/t7?,8-,9+
InChIKeyQOUUGRHLOLHFKN-CBLAIPOGSA-N
MW207.24 g/mol
LogP2.53
Rot. Bonds1

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

(3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 135190990) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID135190990
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1C[C@@H]2CN(CC(F)(F)F)C[C@@H]2C1
InChIInChI=1S/C10H16F3N/c1-7-2-8-4-14(5-9(8)3-7)6-10(11,12)13/h7-9H,2-6H2,1H3/t7?,8-,9+
InChIKeyQOUUGRHLOLHFKN-CBLAIPOGSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 135190990) is (3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC1C[C@@H]2CN(CC(F)(F)F)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is QOUUGRHLOLHFKN-CBLAIPOGSA-N. The full InChI is InChI=1S/C10H16F3N/c1-7-2-8-4-14(5-9(8)3-7)6-10(11,12)13/h7-9H,2-6H2,1H3/t7?,8-,9+.
What are the key properties of (3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 207.24 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 135190990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).