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

C7H11F4NO3 — CID 127263312

IUPAC3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid
SMILESCOCC1(F)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10FNO.C2HF3O2/c1-8-4-5(6)2-7-3-5;3-2(4,5)1(6)7/h7H,2-4H2,1H3;(H,6,7)
InChIKeyZITBMDXKDNBRTH-UHFFFAOYSA-N
MW233.16 g/mol
LogP0.58
Rot. Bonds2

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

3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid (PubChem CID 127263312) has the molecular formula C7H11F4NO3 and a molecular weight of 233.16 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid
PubChem CID127263312
Molecular FormulaC7H11F4NO3
Molecular Weight233.16 g/mol
Exact Mass233.07
IUPAC Name3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid
SMILESCOCC1(F)CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10FNO.C2HF3O2/c1-8-4-5(6)2-7-3-5;3-2(4,5)1(6)7/h7H,2-4H2,1H3;(H,6,7)
InChIKeyZITBMDXKDNBRTH-UHFFFAOYSA-N
XLogP0.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid (CID 127263312) is 3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid is COCC1(F)CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid?
The InChIKey is ZITBMDXKDNBRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO.C2HF3O2/c1-8-4-5(6)2-7-3-5;3-2(4,5)1(6)7/h7H,2-4H2,1H3;(H,6,7).
What are the key properties of 3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid?
3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid has a molecular weight of 233.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127263312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).