3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid

C5H8F4N2O4S — CID 154814291

IUPAC3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid
SMILESNC1CN(S(=O)(=O)F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7FN2O2S.C2HF3O2/c4-9(7,8)6-1-3(5)2-6;3-2(4,5)1(6)7/h3H,1-2,5H2;(H,6,7)
InChIKeyOWGYZPACLDZYFY-UHFFFAOYSA-N
MW268.19 g/mol
LogP-0.52
Rot. Bonds1

About 3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid

3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid (PubChem CID 154814291) has the molecular formula C5H8F4N2O4S and a molecular weight of 268.19 g/mol. Its IUPAC name is 3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid
PubChem CID154814291
Molecular FormulaC5H8F4N2O4S
Molecular Weight268.19 g/mol
Exact Mass268.01
IUPAC Name3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid
SMILESNC1CN(S(=O)(=O)F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H7FN2O2S.C2HF3O2/c4-9(7,8)6-1-3(5)2-6;3-2(4,5)1(6)7/h3H,1-2,5H2;(H,6,7)
InChIKeyOWGYZPACLDZYFY-UHFFFAOYSA-N
XLogP-0.52
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid (CID 154814291) is 3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid is NC1CN(S(=O)(=O)F)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid?
The InChIKey is OWGYZPACLDZYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FN2O2S.C2HF3O2/c4-9(7,8)6-1-3(5)2-6;3-2(4,5)1(6)7/h3H,1-2,5H2;(H,6,7).
What are the key properties of 3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid?
3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid has a molecular weight of 268.19 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoazetidine-1-sulfonyl fluoride;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154814291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).