ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol

C12H16F3NO2 — CID 144912703

IUPACethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol
SMILESCC.Oc1cc(N2CC(O)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2.C2H6/c11-10(12,13)6-1-7(3-8(15)2-6)14-4-9(16)5-14;1-2/h1-3,9,15-16H,4-5H2;1-2H3
InChIKeyFFBJPJYTSPJMHD-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.62
Rot. Bonds1

About ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol

ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol (PubChem CID 144912703) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol.

Molecular Properties

Compound Nameethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol
PubChem CID144912703
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Nameethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol
SMILESCC.Oc1cc(N2CC(O)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2.C2H6/c11-10(12,13)6-1-7(3-8(15)2-6)14-4-9(16)5-14;1-2/h1-3,9,15-16H,4-5H2;1-2H3
InChIKeyFFBJPJYTSPJMHD-UHFFFAOYSA-N
XLogP2.62
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol?
The IUPAC name of ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol (CID 144912703) is ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol.
What is the SMILES notation for ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol?
The canonical SMILES for ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol is CC.Oc1cc(N2CC(O)C2)cc(C(F)(F)F)c1.
What is the InChIKey of ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol?
The InChIKey is FFBJPJYTSPJMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2.C2H6/c11-10(12,13)6-1-7(3-8(15)2-6)14-4-9(16)5-14;1-2/h1-3,9,15-16H,4-5H2;1-2H3.
What are the key properties of ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol?
ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol has a molecular weight of 263.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-hydroxy-5-(trifluoromethyl)phenyl]azetidin-3-ol is sourced from PubChem (CID 144912703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).