trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate

C11H11FO4S — CID 11043430

IUPACtrans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@]1(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11FO4S/c1-16-10(13)9-7-11(9,12)17(14,15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-,11+/m1/s1
InChIKeyJDRWSOUSLDCTLA-KOLCDFICSA-N
MW258.27 g/mol
LogP1.32
Rot. Bonds3

About trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate

trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate (PubChem CID 11043430) has the molecular formula C11H11FO4S and a molecular weight of 258.27 g/mol. Its IUPAC name is trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate
PubChem CID11043430
Molecular FormulaC11H11FO4S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Nametrans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@]1(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11FO4S/c1-16-10(13)9-7-11(9,12)17(14,15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-,11+/m1/s1
InChIKeyJDRWSOUSLDCTLA-KOLCDFICSA-N
XLogP1.32
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate (CID 11043430) is trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@]1(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate?
The InChIKey is JDRWSOUSLDCTLA-KOLCDFICSA-N. The full InChI is InChI=1S/C11H11FO4S/c1-16-10(13)9-7-11(9,12)17(14,15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-,11+/m1/s1.
What are the key properties of trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate?
trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate has a molecular weight of 258.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate is sourced from PubChem (CID 11043430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).