1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride

C13H17ClFNO3 — CID 3079854

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride
SMILESCOc1ccc(C(=O)CN2CCOCC2)cc1F.Cl
InChIInChI=1S/C13H16FNO3.ClH/c1-17-13-3-2-10(8-11(13)14)12(16)9-15-4-6-18-7-5-15;/h2-3,8H,4-7,9H2,1H3;1H
InChIKeyYUJZGKDRVPVINB-UHFFFAOYSA-N
MW289.73 g/mol
LogP1.77
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride

1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride (PubChem CID 3079854) has the molecular formula C13H17ClFNO3 and a molecular weight of 289.73 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride
PubChem CID3079854
Molecular FormulaC13H17ClFNO3
Molecular Weight289.73 g/mol
Exact Mass289.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride
SMILESCOc1ccc(C(=O)CN2CCOCC2)cc1F.Cl
InChIInChI=1S/C13H16FNO3.ClH/c1-17-13-3-2-10(8-11(13)14)12(16)9-15-4-6-18-7-5-15;/h2-3,8H,4-7,9H2,1H3;1H
InChIKeyYUJZGKDRVPVINB-UHFFFAOYSA-N
XLogP1.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride (CID 3079854) is 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride is COc1ccc(C(=O)CN2CCOCC2)cc1F.Cl.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride?
The InChIKey is YUJZGKDRVPVINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3.ClH/c1-17-13-3-2-10(8-11(13)14)12(16)9-15-4-6-18-7-5-15;/h2-3,8H,4-7,9H2,1H3;1H.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride?
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride has a molecular weight of 289.73 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 3079854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).