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

C6H11ClFNO — CID 175669904

IUPAC(4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride
SMILESCl.OCC12CC(F)(CN1)C2
InChIInChI=1S/C6H10FNO.ClH/c7-5-1-6(2-5,4-9)8-3-5;/h8-9H,1-4H2;1H
InChIKeyDGXIEEHIRCZVJH-UHFFFAOYSA-N
MW167.61 g/mol
LogP0.24
Rot. Bonds1

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

(4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride (PubChem CID 175669904) has the molecular formula C6H11ClFNO and a molecular weight of 167.61 g/mol. Its IUPAC name is (4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride
PubChem CID175669904
Molecular FormulaC6H11ClFNO
Molecular Weight167.61 g/mol
Exact Mass167.05
IUPAC Name(4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride
SMILESCl.OCC12CC(F)(CN1)C2
InChIInChI=1S/C6H10FNO.ClH/c7-5-1-6(2-5,4-9)8-3-5;/h8-9H,1-4H2;1H
InChIKeyDGXIEEHIRCZVJH-UHFFFAOYSA-N
XLogP0.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.61
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride?
The IUPAC name of (4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride (CID 175669904) is (4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride.
What is the SMILES notation for (4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride?
The canonical SMILES for (4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride is Cl.OCC12CC(F)(CN1)C2.
What is the InChIKey of (4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride?
The InChIKey is DGXIEEHIRCZVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO.ClH/c7-5-1-6(2-5,4-9)8-3-5;/h8-9H,1-4H2;1H.
What are the key properties of (4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride?
(4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride has a molecular weight of 167.61 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride is sourced from PubChem (CID 175669904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).