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

C15H20FNO3 — CID 116587835

IUPAC(2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1cccc(OC)c1F
InChIInChI=1S/C15H20FNO3/c1-3-7-17-12-9-20-8-11(12)15(18)10-5-4-6-13(19-2)14(10)16/h4-6,11-12,17H,3,7-9H2,1-2H3
InChIKeyZZBCQUCBMJFTID-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.03
Rot. Bonds6

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

(2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 116587835) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID116587835
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1cccc(OC)c1F
InChIInChI=1S/C15H20FNO3/c1-3-7-17-12-9-20-8-11(12)15(18)10-5-4-6-13(19-2)14(10)16/h4-6,11-12,17H,3,7-9H2,1-2H3
InChIKeyZZBCQUCBMJFTID-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 (2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone (CID 116587835) is (2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)c1cccc(OC)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is ZZBCQUCBMJFTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-7-17-12-9-20-8-11(12)15(18)10-5-4-6-13(19-2)14(10)16/h4-6,11-12,17H,3,7-9H2,1-2H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
(2-fluoro-3-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 (2-fluoro-3-methoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116587835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).