(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride

C8H10F2N2O2S — CID 122701416

IUPAC(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride
SMILESC[C@H](c1ncc(F)cn1)[C@@H](C)S(=O)(=O)F
InChIInChI=1S/C8H10F2N2O2S/c1-5(6(2)15(10,13)14)8-11-3-7(9)4-12-8/h3-6H,1-2H3/t5-,6+/m0/s1
InChIKeyVCFVXRHCJUORBY-NTSWFWBYSA-N
MW236.24 g/mol
LogP1.41
Rot. Bonds3

About (2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride

(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride (PubChem CID 122701416) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is (2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride.

Molecular Properties

Compound Name(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride
PubChem CID122701416
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC Name(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride
SMILESC[C@H](c1ncc(F)cn1)[C@@H](C)S(=O)(=O)F
InChIInChI=1S/C8H10F2N2O2S/c1-5(6(2)15(10,13)14)8-11-3-7(9)4-12-8/h3-6H,1-2H3/t5-,6+/m0/s1
InChIKeyVCFVXRHCJUORBY-NTSWFWBYSA-N
XLogP1.41
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10058550, Example 313.0
CID 122701338
(2S,3R)-3-(5-Methylpyrimidin-2-yl)butane-2-sulfonamide
CID 122702009
(4-Amino-2-methylpyrimidin-5-yl)methanesulfonic acid
CID 295887
US10058550, Example 676.0
CID 122701357
4-Fluoro-2-methyl-5-methylsulfonylpyrimidine
CID 17804395
2-(2,4-Difluoropyrimidin-5-yl)ethanesulfinate
CID 57110814
[4-(Dimethylaminomethylideneamino)-5-fluoropyrimidin-2-yl] propane-1-sulfonate
CID 57819259
N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide
CID 66623762
N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 66624389
2-Methyl-N-{(1Z)-[2-(trifluoromethyl)pyrimidin-5-yl]methylene}propane-2-sulfinamide
CID 66661036
2-(1,3-Difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 66730591
5-(1-Methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine
CID 67212781

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
The IUPAC name of (2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride (CID 122701416) is (2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride.
What is the SMILES notation for (2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
The canonical SMILES for (2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride is C[C@H](c1ncc(F)cn1)[C@@H](C)S(=O)(=O)F.
What is the InChIKey of (2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
The InChIKey is VCFVXRHCJUORBY-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c1-5(6(2)15(10,13)14)8-11-3-7(9)4-12-8/h3-6H,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride has a molecular weight of 236.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride is sourced from PubChem (CID 122701416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).