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

C8H12F3NO — CID 50990621

IUPAC5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1(C(F)(F)F)CC2CNCC2C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)1-5-3-12-4-6(5)2-7/h5-6,12-13H,1-4H2
InChIKeyCJHSDNLOBAIDLX-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.91
Rot. Bonds

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

5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 50990621) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID50990621
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1(C(F)(F)F)CC2CNCC2C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)1-5-3-12-4-6(5)2-7/h5-6,12-13H,1-4H2
InChIKeyCJHSDNLOBAIDLX-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of 5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 50990621) is 5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for 5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for 5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is OC1(C(F)(F)F)CC2CNCC2C1.
What is the InChIKey of 5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is CJHSDNLOBAIDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)7(13)1-5-3-12-4-6(5)2-7/h5-6,12-13H,1-4H2.
What are the key properties of 5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 195.18 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 50990621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).