azetidin-3-amine;2,2,2-trifluoroacetic acid

C5H9F3N2O2 — CID 161304816

IUPACazetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2.C2HF3O2/c4-3-1-5-2-3;3-2(4,5)1(6)7/h3,5H,1-2,4H2;(H,6,7)
InChIKeyVICJHAGBHWZWSA-UHFFFAOYSA-N
MW186.13 g/mol
LogP-0.45
Rot. Bonds

About azetidin-3-amine;2,2,2-trifluoroacetic acid

azetidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 161304816) has the molecular formula C5H9F3N2O2 and a molecular weight of 186.13 g/mol. Its IUPAC name is azetidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameazetidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID161304816
Molecular FormulaC5H9F3N2O2
Molecular Weight186.13 g/mol
Exact Mass186.06
IUPAC Nameazetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2.C2HF3O2/c4-3-1-5-2-3;3-2(4,5)1(6)7/h3,5H,1-2,4H2;(H,6,7)
InChIKeyVICJHAGBHWZWSA-UHFFFAOYSA-N
XLogP-0.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of azetidin-3-amine;2,2,2-trifluoroacetic acid (CID 161304816) is azetidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for azetidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for azetidin-3-amine;2,2,2-trifluoroacetic acid is NC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of azetidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VICJHAGBHWZWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.C2HF3O2/c4-3-1-5-2-3;3-2(4,5)1(6)7/h3,5H,1-2,4H2;(H,6,7).
What are the key properties of azetidin-3-amine;2,2,2-trifluoroacetic acid?
azetidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 186.13 g/mol, XLogP of -0.45, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161304816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).