1-(2,2,2-trifluoroethyl)azetidin-3-ol

C5H8F3NO — CID 63282292

IUPAC1-(2,2,2-trifluoroethyl)azetidin-3-ol
SMILESOC1CN(CC(F)(F)F)C1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-9-1-4(10)2-9/h4,10H,1-3H2
InChIKeyXQYSYBCXJJTCJW-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.23
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)azetidin-3-ol

1-(2,2,2-trifluoroethyl)azetidin-3-ol (PubChem CID 63282292) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)azetidin-3-ol
PubChem CID63282292
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name1-(2,2,2-trifluoroethyl)azetidin-3-ol
SMILESOC1CN(CC(F)(F)F)C1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-9-1-4(10)2-9/h4,10H,1-3H2
InChIKeyXQYSYBCXJJTCJW-UHFFFAOYSA-N
XLogP0.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.23
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-3-ol?
The IUPAC name of 1-(2,2,2-trifluoroethyl)azetidin-3-ol (CID 63282292) is 1-(2,2,2-trifluoroethyl)azetidin-3-ol.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)azetidin-3-ol?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)azetidin-3-ol is OC1CN(CC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)azetidin-3-ol?
The InChIKey is XQYSYBCXJJTCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)3-9-1-4(10)2-9/h4,10H,1-3H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)azetidin-3-ol?
1-(2,2,2-trifluoroethyl)azetidin-3-ol has a molecular weight of 155.12 g/mol, XLogP of 0.23, 1 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-3-ol is sourced from PubChem (CID 63282292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).