(2S)-2-azaniumyl-2-(2-fluorophenyl)acetate

C8H8FNO2 — CID 6950279

IUPAC(2S)-2-azaniumyl-2-(2-fluorophenyl)acetate
SMILES[NH3+][C@H](C(=O)[O-])c1ccccc1F
InChIInChI=1S/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1
InChIKeyCGNMJIBUVDGMIY-ZETCQYMHSA-N
MW169.16 g/mol
LogP-1.14
Rot. Bonds2

About (2S)-2-azaniumyl-2-(2-fluorophenyl)acetate

(2S)-2-azaniumyl-2-(2-fluorophenyl)acetate (PubChem CID 6950279) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is (2S)-2-azaniumyl-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name(2S)-2-azaniumyl-2-(2-fluorophenyl)acetate
PubChem CID6950279
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name(2S)-2-azaniumyl-2-(2-fluorophenyl)acetate
SMILES[NH3+][C@H](C(=O)[O-])c1ccccc1F
InChIInChI=1S/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1
InChIKeyCGNMJIBUVDGMIY-ZETCQYMHSA-N
XLogP-1.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-azaniumyl-2-(2-fluorophenyl)acetate?
The IUPAC name of (2S)-2-azaniumyl-2-(2-fluorophenyl)acetate (CID 6950279) is (2S)-2-azaniumyl-2-(2-fluorophenyl)acetate.
What is the SMILES notation for (2S)-2-azaniumyl-2-(2-fluorophenyl)acetate?
The canonical SMILES for (2S)-2-azaniumyl-2-(2-fluorophenyl)acetate is [NH3+][C@H](C(=O)[O-])c1ccccc1F.
What is the InChIKey of (2S)-2-azaniumyl-2-(2-fluorophenyl)acetate?
The InChIKey is CGNMJIBUVDGMIY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-azaniumyl-2-(2-fluorophenyl)acetate?
(2S)-2-azaniumyl-2-(2-fluorophenyl)acetate has a molecular weight of 169.16 g/mol, XLogP of -1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azaniumyl-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 6950279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).