4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine

C8H9BrF2N2OS — CID 167956854

IUPAC4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine
SMILESFC1(F)CN(Cc2ncc(Br)s2)CCO1
InChIInChI=1S/C8H9BrF2N2OS/c9-6-3-12-7(15-6)4-13-1-2-14-8(10,11)5-13/h3H,1-2,4-5H2
InChIKeyQPFXAEFZRPREPV-UHFFFAOYSA-N
MW299.14 g/mol
LogP2.33
Rot. Bonds2

About 4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine

4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine (PubChem CID 167956854) has the molecular formula C8H9BrF2N2OS and a molecular weight of 299.14 g/mol. Its IUPAC name is 4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine.

Molecular Properties

Compound Name4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine
PubChem CID167956854
Molecular FormulaC8H9BrF2N2OS
Molecular Weight299.14 g/mol
Exact Mass297.96
IUPAC Name4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine
SMILESFC1(F)CN(Cc2ncc(Br)s2)CCO1
InChIInChI=1S/C8H9BrF2N2OS/c9-6-3-12-7(15-6)4-13-1-2-14-8(10,11)5-13/h3H,1-2,4-5H2
InChIKeyQPFXAEFZRPREPV-UHFFFAOYSA-N
XLogP2.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine?
The IUPAC name of 4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine (CID 167956854) is 4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine.
What is the SMILES notation for 4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine?
The canonical SMILES for 4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine is FC1(F)CN(Cc2ncc(Br)s2)CCO1.
What is the InChIKey of 4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine?
The InChIKey is QPFXAEFZRPREPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2OS/c9-6-3-12-7(15-6)4-13-1-2-14-8(10,11)5-13/h3H,1-2,4-5H2.
What are the key properties of 4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine?
4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine has a molecular weight of 299.14 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,2-difluoromorpholine is sourced from PubChem (CID 167956854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).