6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol

C11H12F3NO — CID 164867041

IUPAC6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol
SMILESCC1(C)Cc2nc(C(F)(F)F)ccc2C1O
InChIInChI=1S/C11H12F3NO/c1-10(2)5-7-6(9(10)16)3-4-8(15-7)11(12,13)14/h3-4,9,16H,5H2,1-2H3
InChIKeyIGEOABGLAWVZPT-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.72
Rot. Bonds

About 6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol

6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol (PubChem CID 164867041) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol.

Molecular Properties

Compound Name6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol
PubChem CID164867041
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol
SMILESCC1(C)Cc2nc(C(F)(F)F)ccc2C1O
InChIInChI=1S/C11H12F3NO/c1-10(2)5-7-6(9(10)16)3-4-8(15-7)11(12,13)14/h3-4,9,16H,5H2,1-2H3
InChIKeyIGEOABGLAWVZPT-UHFFFAOYSA-N
XLogP2.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol?
The IUPAC name of 6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol (CID 164867041) is 6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol.
What is the SMILES notation for 6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol?
The canonical SMILES for 6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol is CC1(C)Cc2nc(C(F)(F)F)ccc2C1O.
What is the InChIKey of 6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol?
The InChIKey is IGEOABGLAWVZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-10(2)5-7-6(9(10)16)3-4-8(15-7)11(12,13)14/h3-4,9,16H,5H2,1-2H3.
What are the key properties of 6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol?
6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol has a molecular weight of 231.22 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-ol is sourced from PubChem (CID 164867041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).