3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid

C7H12F3NO3 — CID 66653447

IUPAC3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid
SMILESCCC1(O)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-2-5(7)3-6-4-5;3-2(4,5)1(6)7/h6-7H,2-4H2,1H3;(H,6,7)
InChIKeyWAXLZKRTSIMOPS-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.36
Rot. Bonds1

About 3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid

3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid (PubChem CID 66653447) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid
PubChem CID66653447
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid
SMILESCCC1(O)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-2-5(7)3-6-4-5;3-2(4,5)1(6)7/h6-7H,2-4H2,1H3;(H,6,7)
InChIKeyWAXLZKRTSIMOPS-UHFFFAOYSA-N
XLogP0.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid (CID 66653447) is 3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid is CCC1(O)CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The InChIKey is WAXLZKRTSIMOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2HF3O2/c1-2-5(7)3-6-4-5;3-2(4,5)1(6)7/h6-7H,2-4H2,1H3;(H,6,7).
What are the key properties of 3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid?
3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid has a molecular weight of 215.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66653447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).