(2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C12H13BrFNO3 — CID 81203592

IUPAC(2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1Br)N1CCOC(CO)C1
InChIInChI=1S/C12H13BrFNO3/c13-11-5-8(14)1-2-10(11)12(17)15-3-4-18-9(6-15)7-16/h1-2,5,9,16H,3-4,6-7H2
InChIKeyRVUQNNIFBGCCSI-UHFFFAOYSA-N
MW318.14 g/mol
LogP1.42
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81203592) has the molecular formula C12H13BrFNO3 and a molecular weight of 318.14 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81203592
Molecular FormulaC12H13BrFNO3
Molecular Weight318.14 g/mol
Exact Mass317.01
IUPAC Name(2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1Br)N1CCOC(CO)C1
InChIInChI=1S/C12H13BrFNO3/c13-11-5-8(14)1-2-10(11)12(17)15-3-4-18-9(6-15)7-16/h1-2,5,9,16H,3-4,6-7H2
InChIKeyRVUQNNIFBGCCSI-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81203592) is (2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1ccc(F)cc1Br)N1CCOC(CO)C1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is RVUQNNIFBGCCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO3/c13-11-5-8(14)1-2-10(11)12(17)15-3-4-18-9(6-15)7-16/h1-2,5,9,16H,3-4,6-7H2.
What are the key properties of (2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 318.14 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81203592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).