[5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride

C8H10ClF2NO3S — CID 165492004

IUPAC[5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCC(C)(c1cc(CS(=O)(=O)Cl)no1)C(F)F
InChIInChI=1S/C8H10ClF2NO3S/c1-8(2,7(10)11)6-3-5(12-15-6)4-16(9,13)14/h3,7H,4H2,1-2H3
InChIKeyKZACVVURGVYVLN-UHFFFAOYSA-N
MW273.69 g/mol
LogP2.29
Rot. Bonds4

About [5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride

[5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride (PubChem CID 165492004) has the molecular formula C8H10ClF2NO3S and a molecular weight of 273.69 g/mol. Its IUPAC name is [5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
PubChem CID165492004
Molecular FormulaC8H10ClF2NO3S
Molecular Weight273.69 g/mol
Exact Mass273.00
IUPAC Name[5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCC(C)(c1cc(CS(=O)(=O)Cl)no1)C(F)F
InChIInChI=1S/C8H10ClF2NO3S/c1-8(2,7(10)11)6-3-5(12-15-6)4-16(9,13)14/h3,7H,4H2,1-2H3
InChIKeyKZACVVURGVYVLN-UHFFFAOYSA-N
XLogP2.29
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride (CID 165492004) is [5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride is CC(C)(c1cc(CS(=O)(=O)Cl)no1)C(F)F.
What is the InChIKey of [5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The InChIKey is KZACVVURGVYVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2NO3S/c1-8(2,7(10)11)6-3-5(12-15-6)4-16(9,13)14/h3,7H,4H2,1-2H3.
What are the key properties of [5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
[5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride has a molecular weight of 273.69 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 165492004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).