3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine

C20H15Br2F2N3O — CID 118899463

IUPAC3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine
SMILESFc1cc2c(C3COCC(c4c[nH]c5cc(Br)c(F)cc45)N3)c[nH]c2cc1Br
InChIInChI=1S/C20H15Br2F2N3O/c21-13-3-17-9(1-15(13)23)11(5-25-17)19-7-28-8-20(27-19)12-6-26-18-4-14(22)16(24)2-10(12)18/h1-6,19-20,25-27H,7-8H2
InChIKeyBPDQXFFJPVXERZ-UHFFFAOYSA-N
MW511.16 g/mol
LogP5.85
Rot. Bonds2

About 3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine

3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine (PubChem CID 118899463) has the molecular formula C20H15Br2F2N3O and a molecular weight of 511.16 g/mol. Its IUPAC name is 3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine.

Molecular Properties

Compound Name3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine
PubChem CID118899463
Molecular FormulaC20H15Br2F2N3O
Molecular Weight511.16 g/mol
Exact Mass508.95
IUPAC Name3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine
SMILESFc1cc2c(C3COCC(c4c[nH]c5cc(Br)c(F)cc45)N3)c[nH]c2cc1Br
InChIInChI=1S/C20H15Br2F2N3O/c21-13-3-17-9(1-15(13)23)11(5-25-17)19-7-28-8-20(27-19)12-6-26-18-4-14(22)16(24)2-10(12)18/h1-6,19-20,25-27H,7-8H2
InChIKeyBPDQXFFJPVXERZ-UHFFFAOYSA-N
XLogP5.85
TPSA52.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.16
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 118511986
5-bromo-6-fluoro-3-methyl-1H-indole
CID 118084336
5-bromo-3-ethyl-6-fluoro-1H-indole
CID 145066823
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
CID 114759586
3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 86240717
(3R)-5-bromo-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 99454508
(3S)-5-bromo-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 99454509
6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one
CID 165123375
6-fluoro-3-[(3R)-oxolan-3-yl]-1H-indole
CID 124928109
6-bromo-5-fluoro-1,2-dihydroindazol-3-one
CID 122617178
3-bromo-5-chloro-6-fluoro-1H-indole
CID 84706657
3-(4-bromo-3-fluorophenyl)oxetane
CID 130909412

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine?
The IUPAC name of 3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine (CID 118899463) is 3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine.
What is the SMILES notation for 3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine?
The canonical SMILES for 3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine is Fc1cc2c(C3COCC(c4c[nH]c5cc(Br)c(F)cc45)N3)c[nH]c2cc1Br.
What is the InChIKey of 3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine?
The InChIKey is BPDQXFFJPVXERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2F2N3O/c21-13-3-17-9(1-15(13)23)11(5-25-17)19-7-28-8-20(27-19)12-6-26-18-4-14(22)16(24)2-10(12)18/h1-6,19-20,25-27H,7-8H2.
What are the key properties of 3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine?
3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine has a molecular weight of 511.16 g/mol, XLogP of 5.85, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(6-bromo-5-fluoro-1H-indol-3-yl)morpholine is sourced from PubChem (CID 118899463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).