4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride

C8H11ClFNO3S — CID 165459965

IUPAC4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride
SMILESCC(C)(C)Cc1noc(S(=O)(=O)F)c1Cl
InChIInChI=1S/C8H11ClFNO3S/c1-8(2,3)4-5-6(9)7(14-11-5)15(10,12)13/h4H2,1-3H3
InChIKeyQBDUYSATETUJDH-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.57
Rot. Bonds2

About 4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride

4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride (PubChem CID 165459965) has the molecular formula C8H11ClFNO3S and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride
PubChem CID165459965
Molecular FormulaC8H11ClFNO3S
Molecular Weight255.70 g/mol
Exact Mass255.01
IUPAC Name4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride
SMILESCC(C)(C)Cc1noc(S(=O)(=O)F)c1Cl
InChIInChI=1S/C8H11ClFNO3S/c1-8(2,3)4-5-6(9)7(14-11-5)15(10,12)13/h4H2,1-3H3
InChIKeyQBDUYSATETUJDH-UHFFFAOYSA-N
XLogP2.57
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride?
The IUPAC name of 4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride (CID 165459965) is 4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride.
What is the SMILES notation for 4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride?
The canonical SMILES for 4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride is CC(C)(C)Cc1noc(S(=O)(=O)F)c1Cl.
What is the InChIKey of 4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride?
The InChIKey is QBDUYSATETUJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFNO3S/c1-8(2,3)4-5-6(9)7(14-11-5)15(10,12)13/h4H2,1-3H3.
What are the key properties of 4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride?
4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride has a molecular weight of 255.70 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,2-dimethylpropyl)-1,2-oxazole-5-sulfonyl fluoride is sourced from PubChem (CID 165459965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).