(2S,3R)-2-(fluoromethyl)azetidin-3-ol

C4H8FNO — CID 171059172

IUPAC(2S,3R)-2-(fluoromethyl)azetidin-3-ol
SMILESO[C@@H]1CN[C@@H]1CF
InChIInChI=1S/C4H8FNO/c5-1-3-4(7)2-6-3/h3-4,6-7H,1-2H2/t3-,4-/m1/s1
InChIKeyCQEOPQMNQAIAFN-QWWZWVQMSA-N
MW105.11 g/mol
LogP-0.71
Rot. Bonds1

About (2S,3R)-2-(fluoromethyl)azetidin-3-ol

(2S,3R)-2-(fluoromethyl)azetidin-3-ol (PubChem CID 171059172) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is (2S,3R)-2-(fluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-(fluoromethyl)azetidin-3-ol
PubChem CID171059172
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name(2S,3R)-2-(fluoromethyl)azetidin-3-ol
SMILESO[C@@H]1CN[C@@H]1CF
InChIInChI=1S/C4H8FNO/c5-1-3-4(7)2-6-3/h3-4,6-7H,1-2H2/t3-,4-/m1/s1
InChIKeyCQEOPQMNQAIAFN-QWWZWVQMSA-N
XLogP-0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(fluoromethyl)azetidin-3-ol?
The IUPAC name of (2S,3R)-2-(fluoromethyl)azetidin-3-ol (CID 171059172) is (2S,3R)-2-(fluoromethyl)azetidin-3-ol.
What is the SMILES notation for (2S,3R)-2-(fluoromethyl)azetidin-3-ol?
The canonical SMILES for (2S,3R)-2-(fluoromethyl)azetidin-3-ol is O[C@@H]1CN[C@@H]1CF.
What is the InChIKey of (2S,3R)-2-(fluoromethyl)azetidin-3-ol?
The InChIKey is CQEOPQMNQAIAFN-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H8FNO/c5-1-3-4(7)2-6-3/h3-4,6-7H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (2S,3R)-2-(fluoromethyl)azetidin-3-ol?
(2S,3R)-2-(fluoromethyl)azetidin-3-ol has a molecular weight of 105.11 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(fluoromethyl)azetidin-3-ol is sourced from PubChem (CID 171059172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).