4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine

C14H15BrFN3O — CID 146643275

IUPAC4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine
SMILESCn1ccnc1-c1cc(F)c(Br)c(N2CCOCC2)c1
InChIInChI=1S/C14H15BrFN3O/c1-18-3-2-17-14(18)10-8-11(16)13(15)12(9-10)19-4-6-20-7-5-19/h2-3,8-9H,4-7H2,1H3
InChIKeyMCEFFLMNOZJYIW-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.83
Rot. Bonds2

About 4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine

4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine (PubChem CID 146643275) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine
PubChem CID146643275
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine
SMILESCn1ccnc1-c1cc(F)c(Br)c(N2CCOCC2)c1
InChIInChI=1S/C14H15BrFN3O/c1-18-3-2-17-14(18)10-8-11(16)13(15)12(9-10)19-4-6-20-7-5-19/h2-3,8-9H,4-7H2,1H3
InChIKeyMCEFFLMNOZJYIW-UHFFFAOYSA-N
XLogP2.83
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine?
The IUPAC name of 4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine (CID 146643275) is 4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine.
What is the SMILES notation for 4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine?
The canonical SMILES for 4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine is Cn1ccnc1-c1cc(F)c(Br)c(N2CCOCC2)c1.
What is the InChIKey of 4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine?
The InChIKey is MCEFFLMNOZJYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-18-3-2-17-14(18)10-8-11(16)13(15)12(9-10)19-4-6-20-7-5-19/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine?
4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine has a molecular weight of 340.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-3-fluoro-5-(1-methylimidazol-2-yl)phenyl]morpholine is sourced from PubChem (CID 146643275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).