2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol

C9H14F3NO — CID 167467570

IUPAC2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol
SMILESOCCC1C2CN(CC(F)(F)F)CC12
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-13-3-7-6(1-2-14)8(7)4-13/h6-8,14H,1-5H2
InChIKeyFVXCAASPRGXZHT-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.11
Rot. Bonds3

About 2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol

2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol (PubChem CID 167467570) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol
PubChem CID167467570
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol
SMILESOCCC1C2CN(CC(F)(F)F)CC12
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-13-3-7-6(1-2-14)8(7)4-13/h6-8,14H,1-5H2
InChIKeyFVXCAASPRGXZHT-UHFFFAOYSA-N
XLogP1.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol?
The IUPAC name of 2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol (CID 167467570) is 2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol is OCCC1C2CN(CC(F)(F)F)CC12.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol?
The InChIKey is FVXCAASPRGXZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)5-13-3-7-6(1-2-14)8(7)4-13/h6-8,14H,1-5H2.
What are the key properties of 2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol?
2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol has a molecular weight of 209.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol is sourced from PubChem (CID 167467570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).