2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol

C11H18F3NO — CID 123979122

IUPAC2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol
SMILESOCCC1CC2CCC(C1)N2CC(F)(F)F
InChIInChI=1S/C11H18F3NO/c12-11(13,14)7-15-9-1-2-10(15)6-8(5-9)3-4-16/h8-10,16H,1-7H2
InChIKeyODGNWSCRPNOVMS-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.17
Rot. Bonds3

About 2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol

2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol (PubChem CID 123979122) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol.

Molecular Properties

Compound Name2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol
PubChem CID123979122
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol
SMILESOCCC1CC2CCC(C1)N2CC(F)(F)F
InChIInChI=1S/C11H18F3NO/c12-11(13,14)7-15-9-1-2-10(15)6-8(5-9)3-4-16/h8-10,16H,1-7H2
InChIKeyODGNWSCRPNOVMS-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol?
The IUPAC name of 2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol (CID 123979122) is 2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol.
What is the SMILES notation for 2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol?
The canonical SMILES for 2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol is OCCC1CC2CCC(C1)N2CC(F)(F)F.
What is the InChIKey of 2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol?
The InChIKey is ODGNWSCRPNOVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)7-15-9-1-2-10(15)6-8(5-9)3-4-16/h8-10,16H,1-7H2.
What are the key properties of 2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol?
2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol has a molecular weight of 237.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol is sourced from PubChem (CID 123979122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).