3-(trifluoromethyl)azetidin-3-ol

C4H6F3NO — CID 46735153

IUPAC3-(trifluoromethyl)azetidin-3-ol
SMILESOC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H6F3NO/c5-4(6,7)3(9)1-8-2-3/h8-9H,1-2H2
InChIKeyMTIONBCSUYRIEM-UHFFFAOYSA-N
MW141.09 g/mol
LogP-0.12
Rot. Bonds

About 3-(trifluoromethyl)azetidin-3-ol

3-(trifluoromethyl)azetidin-3-ol (PubChem CID 46735153) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is 3-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)azetidin-3-ol
PubChem CID46735153
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC Name3-(trifluoromethyl)azetidin-3-ol
SMILESOC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H6F3NO/c5-4(6,7)3(9)1-8-2-3/h8-9H,1-2H2
InChIKeyMTIONBCSUYRIEM-UHFFFAOYSA-N
XLogP-0.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of 3-(trifluoromethyl)azetidin-3-ol (CID 46735153) is 3-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for 3-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for 3-(trifluoromethyl)azetidin-3-ol is OC1(C(F)(F)F)CNC1.
What is the InChIKey of 3-(trifluoromethyl)azetidin-3-ol?
The InChIKey is MTIONBCSUYRIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c5-4(6,7)3(9)1-8-2-3/h8-9H,1-2H2.
What are the key properties of 3-(trifluoromethyl)azetidin-3-ol?
3-(trifluoromethyl)azetidin-3-ol has a molecular weight of 141.09 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 46735153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).