(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C15H13BrFNO2S — CID 42949375

IUPAC(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H13BrFNO2S/c16-14-6-5-13(21-14)15(19)18-7-8-20-12(9-18)10-1-3-11(17)4-2-10/h1-6,12H,7-9H2
InChIKeyAOLHBGUWAUTCPY-UHFFFAOYSA-N
MW370.24 g/mol
LogP3.86
Rot. Bonds2

About (5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 42949375) has the molecular formula C15H13BrFNO2S and a molecular weight of 370.24 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID42949375
Molecular FormulaC15H13BrFNO2S
Molecular Weight370.24 g/mol
Exact Mass368.98
IUPAC Name(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H13BrFNO2S/c16-14-6-5-13(21-14)15(19)18-7-8-20-12(9-18)10-1-3-11(17)4-2-10/h1-6,12H,7-9H2
InChIKeyAOLHBGUWAUTCPY-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42949369
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183890
[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
(5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 3752460
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 42949375) is (5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is O=C(c1ccc(Br)s1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of (5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is AOLHBGUWAUTCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2S/c16-14-6-5-13(21-14)15(19)18-7-8-20-12(9-18)10-1-3-11(17)4-2-10/h1-6,12H,7-9H2.
What are the key properties of (5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 370.24 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 42949375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).