[1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride

C7H11ClF3NO — CID 178199964

IUPAC[1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride
SMILESCl.OCC12CNC(C(F)(F)F)(C1)C2
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)6-1-5(2-6,4-12)3-11-6;/h11-12H,1-4H2;1H
InChIKeyZDSWVXSUUYNXPG-UHFFFAOYSA-N
MW217.62 g/mol
LogP1.09
Rot. Bonds1

About [1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride

[1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride (PubChem CID 178199964) has the molecular formula C7H11ClF3NO and a molecular weight of 217.62 g/mol. Its IUPAC name is [1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride
PubChem CID178199964
Molecular FormulaC7H11ClF3NO
Molecular Weight217.62 g/mol
Exact Mass217.05
IUPAC Name[1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride
SMILESCl.OCC12CNC(C(F)(F)F)(C1)C2
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)6-1-5(2-6,4-12)3-11-6;/h11-12H,1-4H2;1H
InChIKeyZDSWVXSUUYNXPG-UHFFFAOYSA-N
XLogP1.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride?
The IUPAC name of [1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride (CID 178199964) is [1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride.
What is the SMILES notation for [1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride?
The canonical SMILES for [1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride is Cl.OCC12CNC(C(F)(F)F)(C1)C2.
What is the InChIKey of [1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride?
The InChIKey is ZDSWVXSUUYNXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO.ClH/c8-7(9,10)6-1-5(2-6,4-12)3-11-6;/h11-12H,1-4H2;1H.
What are the key properties of [1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride?
[1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride has a molecular weight of 217.62 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol;hydrochloride is sourced from PubChem (CID 178199964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).