(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one

C10H10FNO2 — CID 70259290

IUPAC(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one
SMILESN[C@H]1CC(=O)OC1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c11-7-3-1-6(2-4-7)10-8(12)5-9(13)14-10/h1-4,8,10H,5,12H2/t8-,10?/m0/s1
InChIKeyVEMBKWHEPFOWSR-PEHGTWAWSA-N
MW195.19 g/mol
LogP1.14
Rot. Bonds1

About (4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one

(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one (PubChem CID 70259290) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is (4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one.

Molecular Properties

Compound Name(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one
PubChem CID70259290
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one
SMILESN[C@H]1CC(=O)OC1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c11-7-3-1-6(2-4-7)10-8(12)5-9(13)14-10/h1-4,8,10H,5,12H2/t8-,10?/m0/s1
InChIKeyVEMBKWHEPFOWSR-PEHGTWAWSA-N
XLogP1.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one?
The IUPAC name of (4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one (CID 70259290) is (4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one.
What is the SMILES notation for (4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one?
The canonical SMILES for (4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one is N[C@H]1CC(=O)OC1c1ccc(F)cc1.
What is the InChIKey of (4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one?
The InChIKey is VEMBKWHEPFOWSR-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-7-3-1-6(2-4-7)10-8(12)5-9(13)14-10/h1-4,8,10H,5,12H2/t8-,10?/m0/s1.
What are the key properties of (4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one?
(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one has a molecular weight of 195.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one is sourced from PubChem (CID 70259290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).