1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

C14H18FNO3 — CID 81204173

IUPAC1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)N1CCOC(CO)C1
InChIInChI=1S/C14H18FNO3/c1-10(16-6-7-19-13(8-16)9-17)14(18)11-2-4-12(15)5-3-11/h2-5,10,13,17H,6-9H2,1H3
InChIKeyQVAUQBJQSBCKLE-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.09
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (PubChem CID 81204173) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
PubChem CID81204173
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)N1CCOC(CO)C1
InChIInChI=1S/C14H18FNO3/c1-10(16-6-7-19-13(8-16)9-17)14(18)11-2-4-12(15)5-3-11/h2-5,10,13,17H,6-9H2,1H3
InChIKeyQVAUQBJQSBCKLE-UHFFFAOYSA-N
XLogP1.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (CID 81204173) is 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is CC(C(=O)c1ccc(F)cc1)N1CCOC(CO)C1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The InChIKey is QVAUQBJQSBCKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10(16-6-7-19-13(8-16)9-17)14(18)11-2-4-12(15)5-3-11/h2-5,10,13,17H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one has a molecular weight of 267.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 81204173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).