[1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol

C6H10F3NO — CID 170601920

IUPAC[1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol
SMILESOCC1CCN1CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-10-2-1-5(10)3-11/h5,11H,1-4H2
InChIKeyWTZBPGUUPYVMHG-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.62
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol

[1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol (PubChem CID 170601920) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol
PubChem CID170601920
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name[1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol
SMILESOCC1CCN1CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-10-2-1-5(10)3-11/h5,11H,1-4H2
InChIKeyWTZBPGUUPYVMHG-UHFFFAOYSA-N
XLogP0.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol?
The IUPAC name of [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol (CID 170601920) is [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol is OCC1CCN1CC(F)(F)F.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol?
The InChIKey is WTZBPGUUPYVMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)4-10-2-1-5(10)3-11/h5,11H,1-4H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol?
[1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol has a molecular weight of 169.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)azetidin-2-yl]methanol is sourced from PubChem (CID 170601920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).