(5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone

C15H20FNO3 — CID 116587867

IUPAC(5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C15H20FNO3/c1-3-6-17-13-9-20-8-12(13)15(18)11-7-10(16)4-5-14(11)19-2/h4-5,7,12-13,17H,3,6,8-9H2,1-2H3
InChIKeyNFQSQJRWERNCHM-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.03
Rot. Bonds6

About (5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone

(5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 116587867) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID116587867
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C15H20FNO3/c1-3-6-17-13-9-20-8-12(13)15(18)11-7-10(16)4-5-14(11)19-2/h4-5,7,12-13,17H,3,6,8-9H2,1-2H3
InChIKeyNFQSQJRWERNCHM-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone (CID 116587867) is (5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)c1cc(F)ccc1OC.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is NFQSQJRWERNCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-6-17-13-9-20-8-12(13)15(18)11-7-10(16)4-5-14(11)19-2/h4-5,7,12-13,17H,3,6,8-9H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 281.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116587867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).