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

C8H10F2N2O2S — CID 122702166

IUPAC(2S,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-WDSKDSINSA-N
MW236.24 g/mol
LogP1.41
Rot. Bonds3

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

(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride (PubChem CID 122702166) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride.

Molecular Properties

Compound Name(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride
PubChem CID122702166
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC Name(2S,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-WDSKDSINSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
The IUPAC name of (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride (CID 122702166) is (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride.
What is the SMILES notation for (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
The canonical SMILES for (2S,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 (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
The InChIKey is VCFVXRHCJUORBY-WDSKDSINSA-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 (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
(2S,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 (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride is sourced from PubChem (CID 122702166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).