1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride

C5H9ClF3NO — CID 135393389

IUPAC1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride
SMILESCl.OC(C1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(10)3-1-9-2-3;/h3-4,9-10H,1-2H2;1H
InChIKeyXBTOBKCHLIZUHO-UHFFFAOYSA-N
MW191.58 g/mol
LogP0.55
Rot. Bonds1

About 1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride

1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride (PubChem CID 135393389) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride
PubChem CID135393389
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride
SMILESCl.OC(C1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(10)3-1-9-2-3;/h3-4,9-10H,1-2H2;1H
InChIKeyXBTOBKCHLIZUHO-UHFFFAOYSA-N
XLogP0.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.58
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride?
The IUPAC name of 1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride (CID 135393389) is 1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride is Cl.OC(C1CNC1)C(F)(F)F.
What is the InChIKey of 1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride?
The InChIKey is XBTOBKCHLIZUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(10)3-1-9-2-3;/h3-4,9-10H,1-2H2;1H.
What are the key properties of 1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride?
1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2,2,2-trifluoroethanol;hydrochloride is sourced from PubChem (CID 135393389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).