(4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone

C12H14FNO3 — CID 116587595

IUPAC(4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1COCC1N
InChIInChI=1S/C12H14FNO3/c1-16-11-3-2-7(13)4-8(11)12(15)9-5-17-6-10(9)14/h2-4,9-10H,5-6,14H2,1H3
InChIKeyXYIXTHBNVQMVMQ-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.99
Rot. Bonds3

About (4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone

(4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 116587595) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID116587595
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1COCC1N
InChIInChI=1S/C12H14FNO3/c1-16-11-3-2-7(13)4-8(11)12(15)9-5-17-6-10(9)14/h2-4,9-10H,5-6,14H2,1H3
InChIKeyXYIXTHBNVQMVMQ-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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Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone (CID 116587595) is (4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)C1COCC1N.
What is the InChIKey of (4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is XYIXTHBNVQMVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-16-11-3-2-7(13)4-8(11)12(15)9-5-17-6-10(9)14/h2-4,9-10H,5-6,14H2,1H3.
What are the key properties of (4-aminooxolan-3-yl)-(5-fluoro-2-methoxyphenyl)methanone?
(4-aminooxolan-3-yl)-(5-fluoro-2-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)-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 116587595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).