ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate

C7H12FNO2 — CID 124710138

IUPACethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate
SMILESCCOC(=O)[C@H](F)C1CNC1
InChIInChI=1S/C7H12FNO2/c1-2-11-7(10)6(8)5-3-9-4-5/h5-6,9H,2-4H2,1H3/t6-/m1/s1
InChIKeySHSWYKLRJCDXCD-ZCFIWIBFSA-N
MW161.18 g/mol
LogP0.11
Rot. Bonds3

About ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate

ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate (PubChem CID 124710138) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate
PubChem CID124710138
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Nameethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate
SMILESCCOC(=O)[C@H](F)C1CNC1
InChIInChI=1S/C7H12FNO2/c1-2-11-7(10)6(8)5-3-9-4-5/h5-6,9H,2-4H2,1H3/t6-/m1/s1
InChIKeySHSWYKLRJCDXCD-ZCFIWIBFSA-N
XLogP0.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate?
The IUPAC name of ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate (CID 124710138) is ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate?
The canonical SMILES for ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate is CCOC(=O)[C@H](F)C1CNC1.
What is the InChIKey of ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate?
The InChIKey is SHSWYKLRJCDXCD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-2-11-7(10)6(8)5-3-9-4-5/h5-6,9H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate?
ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate has a molecular weight of 161.18 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate is sourced from PubChem (CID 124710138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).