4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride

C6H7ClFNO3S — CID 165459870

IUPAC4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride
SMILESCC(C)c1noc(S(=O)(=O)F)c1Cl
InChIInChI=1S/C6H7ClFNO3S/c1-3(2)5-4(7)6(12-9-5)13(8,10)11/h3H,1-2H3
InChIKeyJWJYSAUZDKWMEM-UHFFFAOYSA-N
MW227.64 g/mol
LogP2.11
Rot. Bonds2

About 4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride

4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride (PubChem CID 165459870) has the molecular formula C6H7ClFNO3S and a molecular weight of 227.64 g/mol. Its IUPAC name is 4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride
PubChem CID165459870
Molecular FormulaC6H7ClFNO3S
Molecular Weight227.64 g/mol
Exact Mass226.98
IUPAC Name4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride
SMILESCC(C)c1noc(S(=O)(=O)F)c1Cl
InChIInChI=1S/C6H7ClFNO3S/c1-3(2)5-4(7)6(12-9-5)13(8,10)11/h3H,1-2H3
InChIKeyJWJYSAUZDKWMEM-UHFFFAOYSA-N
XLogP2.11
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.64
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 122163905
CID 122163905
CID 137964481
CID 137964481
CID 131431662
CID 131431662
CID 165459964
CID 165459964
CID 165459965
CID 165459965
CID 165748654
CID 165748654
CID 165870642
CID 165870642
CID 165870649
CID 165870649
CID 165871060
CID 165871060
CID 165872633
CID 165872633
CID 165922173
CID 165922173
CID 125424291
CID 125424291

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride?
The IUPAC name of 4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride (CID 165459870) is 4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride.
What is the SMILES notation for 4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride?
The canonical SMILES for 4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride is CC(C)c1noc(S(=O)(=O)F)c1Cl.
What is the InChIKey of 4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride?
The InChIKey is JWJYSAUZDKWMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFNO3S/c1-3(2)5-4(7)6(12-9-5)13(8,10)11/h3H,1-2H3.
What are the key properties of 4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride?
4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride has a molecular weight of 227.64 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propan-2-yl-1,2-oxazole-5-sulfonyl fluoride is sourced from PubChem (CID 165459870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).