3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol

C15H18F3NO — CID 140683902

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol
SMILESOC1CC2CNC(Cc3ccc(C(F)(F)F)cc3)C2C1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)11-3-1-9(2-4-11)5-14-13-7-12(20)6-10(13)8-19-14/h1-4,10,12-14,19-20H,5-8H2
InChIKeyRMJQTJUXYPELMH-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.61
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol

3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol (PubChem CID 140683902) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol
PubChem CID140683902
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol
SMILESOC1CC2CNC(Cc3ccc(C(F)(F)F)cc3)C2C1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)11-3-1-9(2-4-11)5-14-13-7-12(20)6-10(13)8-19-14/h1-4,10,12-14,19-20H,5-8H2
InChIKeyRMJQTJUXYPELMH-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol (CID 140683902) is 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol is OC1CC2CNC(Cc3ccc(C(F)(F)F)cc3)C2C1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol?
The InChIKey is RMJQTJUXYPELMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)11-3-1-9(2-4-11)5-14-13-7-12(20)6-10(13)8-19-14/h1-4,10,12-14,19-20H,5-8H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol?
3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol has a molecular weight of 285.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 140683902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).