3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one

C11H12FNO3 — CID 82158890

IUPAC3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one
SMILESCOc1ccc(F)cc1C1CC(N)C(=O)O1
InChIInChI=1S/C11H12FNO3/c1-15-9-3-2-6(12)4-7(9)10-5-8(13)11(14)16-10/h2-4,8,10H,5,13H2,1H3
InChIKeyYZNXMABNYYVOOE-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.15
Rot. Bonds2

About 3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one

3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one (PubChem CID 82158890) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one
PubChem CID82158890
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one
SMILESCOc1ccc(F)cc1C1CC(N)C(=O)O1
InChIInChI=1S/C11H12FNO3/c1-15-9-3-2-6(12)4-7(9)10-5-8(13)11(14)16-10/h2-4,8,10H,5,13H2,1H3
InChIKeyYZNXMABNYYVOOE-UHFFFAOYSA-N
XLogP1.15
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948223
[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
CID 140530635
(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945420
5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine
CID 82391341
2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one
CID 83834380
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione
CID 82114724
(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806
2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-one
CID 82781917
5-(5-fluoro-2-methoxyphenyl)piperidin-2-one
CID 82127994

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one?
The IUPAC name of 3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one (CID 82158890) is 3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one.
What is the SMILES notation for 3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one?
The canonical SMILES for 3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one is COc1ccc(F)cc1C1CC(N)C(=O)O1.
What is the InChIKey of 3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one?
The InChIKey is YZNXMABNYYVOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-15-9-3-2-6(12)4-7(9)10-5-8(13)11(14)16-10/h2-4,8,10H,5,13H2,1H3.
What are the key properties of 3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one?
3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one has a molecular weight of 225.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one is sourced from PubChem (CID 82158890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).