methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate

C8H13F2NO3 — CID 106172940

IUPACmethyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CC(F)(F)CO
InChIInChI=1S/C8H13F2NO3/c1-14-7(13)6-2-3-11(6)4-8(9,10)5-12/h6,12H,2-5H2,1H3
InChIKeyMAAHREYLOXSBAY-UHFFFAOYSA-N
MW209.19 g/mol
LogP-0.14
Rot. Bonds4

About methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate

methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate (PubChem CID 106172940) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate
PubChem CID106172940
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Namemethyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CC(F)(F)CO
InChIInChI=1S/C8H13F2NO3/c1-14-7(13)6-2-3-11(6)4-8(9,10)5-12/h6,12H,2-5H2,1H3
InChIKeyMAAHREYLOXSBAY-UHFFFAOYSA-N
XLogP-0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate (CID 106172940) is methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate is COC(=O)C1CCN1CC(F)(F)CO.
What is the InChIKey of methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate?
The InChIKey is MAAHREYLOXSBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-14-7(13)6-2-3-11(6)4-8(9,10)5-12/h6,12H,2-5H2,1H3.
What are the key properties of methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate?
methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate has a molecular weight of 209.19 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate is sourced from PubChem (CID 106172940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).