(5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone

C16H14BrF2NO3S — CID 3752460

IUPAC(5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCOC(COc2cc(F)ccc2F)C1
InChIInChI=1S/C16H14BrF2NO3S/c17-15-4-3-14(24-15)16(21)20-5-6-22-11(8-20)9-23-13-7-10(18)1-2-12(13)19/h1-4,7,11H,5-6,8-9H2
InChIKeyLBXYWDBUABUCPM-UHFFFAOYSA-N
MW418.26 g/mol
LogP3.71
Rot. Bonds4

About (5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone

(5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone (PubChem CID 3752460) has the molecular formula C16H14BrF2NO3S and a molecular weight of 418.26 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone
PubChem CID3752460
Molecular FormulaC16H14BrF2NO3S
Molecular Weight418.26 g/mol
Exact Mass416.98
IUPAC Name(5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCOC(COc2cc(F)ccc2F)C1
InChIInChI=1S/C16H14BrF2NO3S/c17-15-4-3-14(24-15)16(21)20-5-6-22-11(8-20)9-23-13-7-10(18)1-2-12(13)19/h1-4,7,11H,5-6,8-9H2
InChIKeyLBXYWDBUABUCPM-UHFFFAOYSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705
(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 46059327
1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 3316326
(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42949375
1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-2-(3-methyl-1-benzothiophen-2-yl)ethanone
CID 4993392
[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]-(furan-2-yl)methanone
CID 46041071
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
CID 3700593
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
1-[2-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-5-fluorophenyl]ethanone
CID 3311022
3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one
CID 3713766
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone (CID 3752460) is (5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone is O=C(c1ccc(Br)s1)N1CCOC(COc2cc(F)ccc2F)C1.
What is the InChIKey of (5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone?
The InChIKey is LBXYWDBUABUCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO3S/c17-15-4-3-14(24-15)16(21)20-5-6-22-11(8-20)9-23-13-7-10(18)1-2-12(13)19/h1-4,7,11H,5-6,8-9H2.
What are the key properties of (5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone?
(5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone has a molecular weight of 418.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 3752460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).