1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride

C6H6ClFN2O4S — CID 80695461

IUPAC1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
SMILESO=c1[nH]c(=O)n(CCF)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H6ClFN2O4S/c7-15(13,14)4-3-10(2-1-8)6(12)9-5(4)11/h3H,1-2H2,(H,9,11,12)
InChIKeyQLJDPJFNOUMINE-UHFFFAOYSA-N
MW256.64 g/mol
LogP-0.57
Rot. Bonds3

About 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride

1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride (PubChem CID 80695461) has the molecular formula C6H6ClFN2O4S and a molecular weight of 256.64 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
PubChem CID80695461
Molecular FormulaC6H6ClFN2O4S
Molecular Weight256.64 g/mol
Exact Mass255.97
IUPAC Name1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
SMILESO=c1[nH]c(=O)n(CCF)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H6ClFN2O4S/c7-15(13,14)4-3-10(2-1-8)6(12)9-5(4)11/h3H,1-2H2,(H,9,11,12)
InChIKeyQLJDPJFNOUMINE-UHFFFAOYSA-N
XLogP-0.57
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-1-(4,4,4-trifluorobutyl)pyrimidine-5-sulfonyl chloride
CID 113327218
1-(2-tert-butylsulfonylethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride
CID 106728510
2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride
CID 82914823
2,4-dioxo-1-(2-pyridin-4-ylethyl)pyrimidine-5-sulfonyl chloride
CID 82915418
5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione
CID 81113908
2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride
CID 84707700
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
1-(2-methylpropyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 81340538
1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 114935276
1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
CID 66330500
1-[4-(tert-butylamino)butyl]-5-fluoropyrimidine-2,4-dione
CID 55220321
1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione
CID 66424190

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride?
The IUPAC name of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride (CID 80695461) is 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride.
What is the SMILES notation for 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride?
The canonical SMILES for 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride is O=c1[nH]c(=O)n(CCF)cc1S(=O)(=O)Cl.
What is the InChIKey of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride?
The InChIKey is QLJDPJFNOUMINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O4S/c7-15(13,14)4-3-10(2-1-8)6(12)9-5(4)11/h3H,1-2H2,(H,9,11,12).
What are the key properties of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride?
1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride has a molecular weight of 256.64 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonyl chloride is sourced from PubChem (CID 80695461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).