[(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium

C10H13FNO2+ — CID 7018987

IUPAC[(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
SMILESCOC(=O)[C@@H]([NH3+])Cc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/p+1/t9-/m0/s1
InChIKeyNCSHKOSBEYDZFY-VIFPVBQESA-O
MW198.22 g/mol
LogP0.15
Rot. Bonds3

About [(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium

[(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium (PubChem CID 7018987) has the molecular formula C10H13FNO2+ and a molecular weight of 198.22 g/mol. Its IUPAC name is [(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
PubChem CID7018987
Molecular FormulaC10H13FNO2+
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
SMILESCOC(=O)[C@@H]([NH3+])Cc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/p+1/t9-/m0/s1
InChIKeyNCSHKOSBEYDZFY-VIFPVBQESA-O
XLogP0.15
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium (CID 7018987) is [(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium is COC(=O)[C@@H]([NH3+])Cc1ccc(F)cc1.
What is the InChIKey of [(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium?
The InChIKey is NCSHKOSBEYDZFY-VIFPVBQESA-O. The full InChI is InChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/p+1/t9-/m0/s1.
What are the key properties of [(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium?
[(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium has a molecular weight of 198.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7018987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).