2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol

C6H10F3NO — CID 118697583

IUPAC2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CNC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-5(11,6(7,8)9)4-2-10-3-4/h4,10-11H,2-3H2,1H3
InChIKeyUWMMCFGTKIFSAW-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.52
Rot. Bonds1

About 2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol

2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 118697583) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID118697583
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CNC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-5(11,6(7,8)9)4-2-10-3-4/h4,10-11H,2-3H2,1H3
InChIKeyUWMMCFGTKIFSAW-UHFFFAOYSA-N
XLogP0.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol (CID 118697583) is 2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol is CC(O)(C1CNC1)C(F)(F)F.
What is the InChIKey of 2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is UWMMCFGTKIFSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-5(11,6(7,8)9)4-2-10-3-4/h4,10-11H,2-3H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol?
2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 169.15 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 118697583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).