(4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone

C12H14FNO3 — CID 116587559

IUPAC(4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2COCC2N)c1F
InChIInChI=1S/C12H14FNO3/c1-16-10-4-2-3-7(11(10)13)12(15)8-5-17-6-9(8)14/h2-4,8-9H,5-6,14H2,1H3
InChIKeyQUJFDEDMNIMBSI-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.99
Rot. Bonds3

About (4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone

(4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 116587559) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID116587559
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2COCC2N)c1F
InChIInChI=1S/C12H14FNO3/c1-16-10-4-2-3-7(11(10)13)12(15)8-5-17-6-9(8)14/h2-4,8-9H,5-6,14H2,1H3
InChIKeyQUJFDEDMNIMBSI-UHFFFAOYSA-N
XLogP0.99
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 115792913
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
3,4-dihydro-2H-chromen-3-yl-(2-fluoro-3-methoxyphenyl)methanone
CID 82791721
N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide
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2-chloro-2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanone
CID 112575015
1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116579985
(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116748849
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549807
3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 116608834

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone (CID 116587559) is (4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone is COc1cccc(C(=O)C2COCC2N)c1F.
What is the InChIKey of (4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is QUJFDEDMNIMBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-16-10-4-2-3-7(11(10)13)12(15)8-5-17-6-9(8)14/h2-4,8-9H,5-6,14H2,1H3.
What are the key properties of (4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone?
(4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 239.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 116587559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).