[(S)-amino-(4-fluorophenyl)methyl] acetate

C9H10FNO2 — CID 172804498

IUPAC[(S)-amino-(4-fluorophenyl)methyl] acetate
SMILESCC(=O)O[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2/c1-6(12)13-9(11)7-2-4-8(10)5-3-7/h2-5,9H,11H2,1H3/t9-/m0/s1
InChIKeyRHXVMCBMKCOYQF-VIFPVBQESA-N
MW183.18 g/mol
LogP1.35
Rot. Bonds2

About [(S)-amino-(4-fluorophenyl)methyl] acetate

[(S)-amino-(4-fluorophenyl)methyl] acetate (PubChem CID 172804498) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is [(S)-amino-(4-fluorophenyl)methyl] acetate.

Molecular Properties

Compound Name[(S)-amino-(4-fluorophenyl)methyl] acetate
PubChem CID172804498
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name[(S)-amino-(4-fluorophenyl)methyl] acetate
SMILESCC(=O)O[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2/c1-6(12)13-9(11)7-2-4-8(10)5-3-7/h2-5,9H,11H2,1H3/t9-/m0/s1
InChIKeyRHXVMCBMKCOYQF-VIFPVBQESA-N
XLogP1.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(S)-amino-(4-fluorophenyl)methyl] acetate?
The IUPAC name of [(S)-amino-(4-fluorophenyl)methyl] acetate (CID 172804498) is [(S)-amino-(4-fluorophenyl)methyl] acetate.
What is the SMILES notation for [(S)-amino-(4-fluorophenyl)methyl] acetate?
The canonical SMILES for [(S)-amino-(4-fluorophenyl)methyl] acetate is CC(=O)O[C@H](N)c1ccc(F)cc1.
What is the InChIKey of [(S)-amino-(4-fluorophenyl)methyl] acetate?
The InChIKey is RHXVMCBMKCOYQF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6(12)13-9(11)7-2-4-8(10)5-3-7/h2-5,9H,11H2,1H3/t9-/m0/s1.
What are the key properties of [(S)-amino-(4-fluorophenyl)methyl] acetate?
[(S)-amino-(4-fluorophenyl)methyl] acetate has a molecular weight of 183.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-amino-(4-fluorophenyl)methyl] acetate is sourced from PubChem (CID 172804498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).