[(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde

C7H12F3NO3 — CID 174189619

IUPAC[(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde
SMILESO=CC(F)(F)F.OC[C@@H]1C[C@@H](CO)N1
InChIInChI=1S/C5H11NO2.C2HF3O/c7-2-4-1-5(3-8)6-4;3-2(4,5)1-6/h4-8H,1-3H2;1H/t4-,5-;/m0./s1
InChIKeyYAIXXDTXSHZGLF-FHAQVOQBSA-N
MW215.17 g/mol
LogP-0.55
Rot. Bonds2

About [(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde

[(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde (PubChem CID 174189619) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is [(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name[(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde
PubChem CID174189619
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name[(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde
SMILESO=CC(F)(F)F.OC[C@@H]1C[C@@H](CO)N1
InChIInChI=1S/C5H11NO2.C2HF3O/c7-2-4-1-5(3-8)6-4;3-2(4,5)1-6/h4-8H,1-3H2;1H/t4-,5-;/m0./s1
InChIKeyYAIXXDTXSHZGLF-FHAQVOQBSA-N
XLogP-0.55
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde?
The IUPAC name of [(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde (CID 174189619) is [(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for [(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for [(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde is O=CC(F)(F)F.OC[C@@H]1C[C@@H](CO)N1.
What is the InChIKey of [(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde?
The InChIKey is YAIXXDTXSHZGLF-FHAQVOQBSA-N. The full InChI is InChI=1S/C5H11NO2.C2HF3O/c7-2-4-1-5(3-8)6-4;3-2(4,5)1-6/h4-8H,1-3H2;1H/t4-,5-;/m0./s1.
What are the key properties of [(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde?
[(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde has a molecular weight of 215.17 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 174189619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).