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

C8H11F4NO3S — CID 168674664

IUPAC[5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(N1CC(CS(=O)(=O)F)CC1=O)C(F)(F)F
InChIInChI=1S/C8H11F4NO3S/c1-5(8(9,10)11)13-3-6(2-7(13)14)4-17(12,15)16/h5-6H,2-4H2,1H3
InChIKeyPBWIHXQGIKGOHQ-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.09
Rot. Bonds3

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

[5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674664) has the molecular formula C8H11F4NO3S and a molecular weight of 277.24 g/mol. Its IUPAC name is [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674664
Molecular FormulaC8H11F4NO3S
Molecular Weight277.24 g/mol
Exact Mass277.04
IUPAC Name[5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(N1CC(CS(=O)(=O)F)CC1=O)C(F)(F)F
InChIInChI=1S/C8H11F4NO3S/c1-5(8(9,10)11)13-3-6(2-7(13)14)4-17(12,15)16/h5-6H,2-4H2,1H3
InChIKeyPBWIHXQGIKGOHQ-UHFFFAOYSA-N
XLogP1.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
3,3,4,4-tetrafluoro-2-methyl-N-(2-methylsulfonylethyl)-N-propan-2-ylbutanamide
CID 167967564
[5-Oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672446
[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
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699
[1-(5-Methylhexan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674705
(1-Butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
(5-Oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674803
(1-Hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674808

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674664) is [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is CC(N1CC(CS(=O)(=O)F)CC1=O)C(F)(F)F.
What is the InChIKey of [5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is PBWIHXQGIKGOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO3S/c1-5(8(9,10)11)13-3-6(2-7(13)14)4-17(12,15)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 fluoride?
[5-oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 277.24 g/mol, XLogP of 1.09, 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 fluoride is sourced from PubChem (CID 168674664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).