3-(6-amino-2,3-difluorophenoxy)oxolan-2-one

C10H9F2NO3 — CID 117095633

IUPAC3-(6-amino-2,3-difluorophenoxy)oxolan-2-one
SMILESNc1ccc(F)c(F)c1OC1CCOC1=O
InChIInChI=1S/C10H9F2NO3/c11-5-1-2-6(13)9(8(5)12)16-7-3-4-15-10(7)14/h1-2,7H,3-4,13H2
InChIKeyNTBZXXFBGGCPQD-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.24
Rot. Bonds2

About 3-(6-amino-2,3-difluorophenoxy)oxolan-2-one

3-(6-amino-2,3-difluorophenoxy)oxolan-2-one (PubChem CID 117095633) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is 3-(6-amino-2,3-difluorophenoxy)oxolan-2-one.

Molecular Properties

Compound Name3-(6-amino-2,3-difluorophenoxy)oxolan-2-one
PubChem CID117095633
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name3-(6-amino-2,3-difluorophenoxy)oxolan-2-one
SMILESNc1ccc(F)c(F)c1OC1CCOC1=O
InChIInChI=1S/C10H9F2NO3/c11-5-1-2-6(13)9(8(5)12)16-7-3-4-15-10(7)14/h1-2,7H,3-4,13H2
InChIKeyNTBZXXFBGGCPQD-UHFFFAOYSA-N
XLogP1.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2,3-difluorophenoxy)oxolan-2-one?
The IUPAC name of 3-(6-amino-2,3-difluorophenoxy)oxolan-2-one (CID 117095633) is 3-(6-amino-2,3-difluorophenoxy)oxolan-2-one.
What is the SMILES notation for 3-(6-amino-2,3-difluorophenoxy)oxolan-2-one?
The canonical SMILES for 3-(6-amino-2,3-difluorophenoxy)oxolan-2-one is Nc1ccc(F)c(F)c1OC1CCOC1=O.
What is the InChIKey of 3-(6-amino-2,3-difluorophenoxy)oxolan-2-one?
The InChIKey is NTBZXXFBGGCPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c11-5-1-2-6(13)9(8(5)12)16-7-3-4-15-10(7)14/h1-2,7H,3-4,13H2.
What are the key properties of 3-(6-amino-2,3-difluorophenoxy)oxolan-2-one?
3-(6-amino-2,3-difluorophenoxy)oxolan-2-one has a molecular weight of 229.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2,3-difluorophenoxy)oxolan-2-one is sourced from PubChem (CID 117095633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).