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

C9H14F3N — CID 167467693

IUPAC(3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)CN1C[C@H]2CCC[C@H]2C1
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-13-4-7-2-1-3-8(7)5-13/h7-8H,1-6H2/t7-,8+
InChIKeyVIYLIEWKIXFRPB-OCAPTIKFSA-N
MW193.21 g/mol
LogP2.28
Rot. Bonds1

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

(3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 167467693) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID167467693
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)CN1C[C@H]2CCC[C@H]2C1
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-13-4-7-2-1-3-8(7)5-13/h7-8H,1-6H2/t7-,8+
InChIKeyVIYLIEWKIXFRPB-OCAPTIKFSA-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

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 167467693) is (3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is FC(F)(F)CN1C[C@H]2CCC[C@H]2C1.
What is the InChIKey of (3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is VIYLIEWKIXFRPB-OCAPTIKFSA-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/t7-,8+.
What are the key properties of (3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aR,6aS)-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 (3aR,6aS)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 167467693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).