[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C8H8ClF6NO3S — CID 168673601

IUPAC[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8ClF6NO3S/c9-20(18,19)3-4-1-5(17)16(2-4)6(7(10,11)12)8(13,14)15/h4,6H,1-3H2
InChIKeyBFFFRPXEHCVFFJ-UHFFFAOYSA-N
MW347.66 g/mol
LogP1.90
Rot. Bonds3

About [1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673601) has the molecular formula C8H8ClF6NO3S and a molecular weight of 347.66 g/mol. Its IUPAC name is [1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673601
Molecular FormulaC8H8ClF6NO3S
Molecular Weight347.66 g/mol
Exact Mass346.98
IUPAC Name[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8ClF6NO3S/c9-20(18,19)3-4-1-5(17)16(2-4)6(7(10,11)12)8(13,14)15/h4,6H,1-3H2
InChIKeyBFFFRPXEHCVFFJ-UHFFFAOYSA-N
XLogP1.90
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.66
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673601) is [1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is BFFFRPXEHCVFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF6NO3S/c9-20(18,19)3-4-1-5(17)16(2-4)6(7(10,11)12)8(13,14)15/h4,6H,1-3H2.
What are the key properties of [1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 347.66 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).