2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride

C6H6BrFN2O3S — CID 165459301

IUPAC2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1c(Br)nc2n1CCOC2
InChIInChI=1S/C6H6BrFN2O3S/c7-5-6(14(8,11)12)10-1-2-13-3-4(10)9-5/h1-3H2
InChIKeyLETHZXQDPSQISM-UHFFFAOYSA-N
MW285.09 g/mol
LogP0.83
Rot. Bonds1

About 2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride

2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride (PubChem CID 165459301) has the molecular formula C6H6BrFN2O3S and a molecular weight of 285.09 g/mol. Its IUPAC name is 2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride.

Molecular Properties

Compound Name2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride
PubChem CID165459301
Molecular FormulaC6H6BrFN2O3S
Molecular Weight285.09 g/mol
Exact Mass283.93
IUPAC Name2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1c(Br)nc2n1CCOC2
InChIInChI=1S/C6H6BrFN2O3S/c7-5-6(14(8,11)12)10-1-2-13-3-4(10)9-5/h1-3H2
InChIKeyLETHZXQDPSQISM-UHFFFAOYSA-N
XLogP0.83
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride?
The IUPAC name of 2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride (CID 165459301) is 2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride.
What is the SMILES notation for 2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride?
The canonical SMILES for 2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride is O=S(=O)(F)c1c(Br)nc2n1CCOC2.
What is the InChIKey of 2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride?
The InChIKey is LETHZXQDPSQISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2O3S/c7-5-6(14(8,11)12)10-1-2-13-3-4(10)9-5/h1-3H2.
What are the key properties of 2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride?
2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride has a molecular weight of 285.09 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride is sourced from PubChem (CID 165459301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).