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

C8H11F4N — CID 115020913

IUPAC5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)C1(F)CC2CNCC2C1
InChIInChI=1S/C8H11F4N/c9-7(8(10,11)12)1-5-3-13-4-6(5)2-7/h5-6,13H,1-4H2
InChIKeyZTGCPWCCMCQXQX-UHFFFAOYSA-N
MW197.17 g/mol
LogP1.89
Rot. Bonds

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

5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 115020913) has the molecular formula C8H11F4N and a molecular weight of 197.17 g/mol. Its IUPAC name is 5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID115020913
Molecular FormulaC8H11F4N
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)C1(F)CC2CNCC2C1
InChIInChI=1S/C8H11F4N/c9-7(8(10,11)12)1-5-3-13-4-6(5)2-7/h5-6,13H,1-4H2
InChIKeyZTGCPWCCMCQXQX-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 115020913) is 5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is FC(F)(F)C1(F)CC2CNCC2C1.
What is the InChIKey of 5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is ZTGCPWCCMCQXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N/c9-7(8(10,11)12)1-5-3-13-4-6(5)2-7/h5-6,13H,1-4H2.
What are the key properties of 5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 197.17 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 115020913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).