2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene

C7H7FO2S2 — CID 164680120

IUPAC2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene
SMILESO=S(=O)(c1cccs1)[C@@H]1C[C@H]1F
InChIInChI=1S/C7H7FO2S2/c8-5-4-6(5)12(9,10)7-2-1-3-11-7/h1-3,5-6H,4H2/t5-,6-/m1/s1
InChIKeyMPKBFVPRPHWKLM-PHDIDXHHSA-N
MW206.26 g/mol
LogP1.63
Rot. Bonds2

About 2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene

2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene (PubChem CID 164680120) has the molecular formula C7H7FO2S2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene.

Molecular Properties

Compound Name2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene
PubChem CID164680120
Molecular FormulaC7H7FO2S2
Molecular Weight206.26 g/mol
Exact Mass205.99
IUPAC Name2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene
SMILESO=S(=O)(c1cccs1)[C@@H]1C[C@H]1F
InChIInChI=1S/C7H7FO2S2/c8-5-4-6(5)12(9,10)7-2-1-3-11-7/h1-3,5-6H,4H2/t5-,6-/m1/s1
InChIKeyMPKBFVPRPHWKLM-PHDIDXHHSA-N
XLogP1.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene?
The IUPAC name of 2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene (CID 164680120) is 2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene.
What is the SMILES notation for 2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene?
The canonical SMILES for 2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene is O=S(=O)(c1cccs1)[C@@H]1C[C@H]1F.
What is the InChIKey of 2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene?
The InChIKey is MPKBFVPRPHWKLM-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H7FO2S2/c8-5-4-6(5)12(9,10)7-2-1-3-11-7/h1-3,5-6H,4H2/t5-,6-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene?
2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene has a molecular weight of 206.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene is sourced from PubChem (CID 164680120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).