3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol

C11H18F3NO — CID 65320279

IUPAC3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCCC2CCCC21)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c12-11(13,14)10(16)7-15-6-2-4-8-3-1-5-9(8)15/h8-10,16H,1-7H2
InChIKeySDHOFRVENRAEOI-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.17
Rot. Bonds2

About 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 65320279) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID65320279
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCCC2CCCC21)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c12-11(13,14)10(16)7-15-6-2-4-8-3-1-5-9(8)15/h8-10,16H,1-7H2
InChIKeySDHOFRVENRAEOI-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol (CID 65320279) is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol is OC(CN1CCCC2CCCC21)C(F)(F)F.
What is the InChIKey of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is SDHOFRVENRAEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)10(16)7-15-6-2-4-8-3-1-5-9(8)15/h8-10,16H,1-7H2.
What are the key properties of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 237.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 65320279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).