3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

C7H12F4N2O5S — CID 175890459

IUPAC3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCOCC1(F)CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11FN2O3S.C2HF3O2/c1-11-4-5(6)2-8(3-5)12(7,9)10;3-2(4,5)1(6)7/h2-4H2,1H3,(H2,7,9,10);(H,6,7)
InChIKeyDVEIZTZKCPZKMN-UHFFFAOYSA-N
MW312.24 g/mol
LogP-0.51
Rot. Bonds3

About 3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175890459) has the molecular formula C7H12F4N2O5S and a molecular weight of 312.24 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175890459
Molecular FormulaC7H12F4N2O5S
Molecular Weight312.24 g/mol
Exact Mass312.04
IUPAC Name3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCOCC1(F)CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11FN2O3S.C2HF3O2/c1-11-4-5(6)2-8(3-5)12(7,9)10;3-2(4,5)1(6)7/h2-4H2,1H3,(H2,7,9,10);(H,6,7)
InChIKeyDVEIZTZKCPZKMN-UHFFFAOYSA-N
XLogP-0.51
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Methoxymethyl)-3-methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175890438
3-Methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175890535
3-Fluoroazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 176092943

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 175890459) is 3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is COCC1(F)CN(S(N)(=O)=O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is DVEIZTZKCPZKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2O3S.C2HF3O2/c1-11-4-5(6)2-8(3-5)12(7,9)10;3-2(4,5)1(6)7/h2-4H2,1H3,(H2,7,9,10);(H,6,7).
What are the key properties of 3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 312.24 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175890459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).