[5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride

C8H11ClF3NO3S — CID 168672446

IUPAC[5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESCC(N1CC(CS(=O)(=O)Cl)CC1=O)C(F)(F)F
InChIInChI=1S/C8H11ClF3NO3S/c1-5(8(10,11)12)13-3-6(2-7(13)14)4-17(9,15)16/h5-6H,2-4H2,1H3
InChIKeyWONDCIZEDOLLQC-UHFFFAOYSA-N
MW293.69 g/mol
LogP1.35
Rot. Bonds3

About [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride

[5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168672446) has the molecular formula C8H11ClF3NO3S and a molecular weight of 293.69 g/mol. Its IUPAC name is [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168672446
Molecular FormulaC8H11ClF3NO3S
Molecular Weight293.69 g/mol
Exact Mass293.01
IUPAC Name[5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESCC(N1CC(CS(=O)(=O)Cl)CC1=O)C(F)(F)F
InChIInChI=1S/C8H11ClF3NO3S/c1-5(8(10,11)12)13-3-6(2-7(13)14)4-17(9,15)16/h5-6H,2-4H2,1H3
InChIKeyWONDCIZEDOLLQC-UHFFFAOYSA-N
XLogP1.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2,2-Trifluoroacetyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 83671411
2-[1-(2,2,2-Trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride
CID 83671412
(3S,4S)-1-acetyl-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
CID 128371432
N-cyclopropyl-2-methyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)-1,2-thiazolidine-5-carboxamide
CID 132300085
2-Methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 138024987
3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide
CID 167967564
4-(Sulfanylmethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-2-one
CID 168669155
[1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673601
[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673629
[1-(2,2-Difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673630
[5-Oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674664
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride (CID 168672446) is [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride is CC(N1CC(CS(=O)(=O)Cl)CC1=O)C(F)(F)F.
What is the InChIKey of [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is WONDCIZEDOLLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3NO3S/c1-5(8(10,11)12)13-3-6(2-7(13)14)4-17(9,15)16/h5-6H,2-4H2,1H3.
What are the key properties of [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 293.69 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168672446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).