8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C13H21F2NO — CID 114225046

IUPAC8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CC1CCC(F)(F)C1
InChIInChI=1S/C13H21F2NO/c14-13(15)4-3-9(7-13)8-16-10-1-2-11(16)6-12(17)5-10/h9-12,17H,1-8H2
InChIKeyDWNOLMLUAXCPSY-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.41
Rot. Bonds2

About 8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 114225046) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is 8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID114225046
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC Name8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CC1CCC(F)(F)C1
InChIInChI=1S/C13H21F2NO/c14-13(15)4-3-9(7-13)8-16-10-1-2-11(16)6-12(17)5-10/h9-12,17H,1-8H2
InChIKeyDWNOLMLUAXCPSY-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-Fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13377577
(1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13377578
8-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 18919595
8-(3-Fluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 68941407
(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 70194959
[8-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 117812511
2-[8-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol
CID 123979122
(1R,5S)-8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 155188246
[(1R,5S)-8-methyl-8-(2,2,2-trifluoroethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]methanol
CID 169859693
[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 175853750
8-(2,2-Difluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769417
8-(3,3,3-Trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 64564915

Frequently Asked Questions

What is the IUPAC name of 8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 114225046) is 8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CC1CCC(F)(F)C1.
What is the InChIKey of 8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DWNOLMLUAXCPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c14-13(15)4-3-9(7-13)8-16-10-1-2-11(16)6-12(17)5-10/h9-12,17H,1-8H2.
What are the key properties of 8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 245.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,3-difluorocyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 114225046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).