(1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane

C11H10F2O2S — CID 125434703

IUPAC(1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane
SMILESO=S(=O)(c1cc(F)cc(F)c1)[C@@]12CC[C@@H]1C2
InChIInChI=1S/C11H10F2O2S/c12-8-3-9(13)5-10(4-8)16(14,15)11-2-1-7(11)6-11/h3-5,7H,1-2,6H2/t7-,11-/m1/s1
InChIKeyIZBMPDKWKGIJQD-RDDDGLTNSA-N
MW244.26 g/mol
LogP2.29
Rot. Bonds2

About (1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane

(1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane (PubChem CID 125434703) has the molecular formula C11H10F2O2S and a molecular weight of 244.26 g/mol. Its IUPAC name is (1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name(1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane
PubChem CID125434703
Molecular FormulaC11H10F2O2S
Molecular Weight244.26 g/mol
Exact Mass244.04
IUPAC Name(1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane
SMILESO=S(=O)(c1cc(F)cc(F)c1)[C@@]12CC[C@@H]1C2
InChIInChI=1S/C11H10F2O2S/c12-8-3-9(13)5-10(4-8)16(14,15)11-2-1-7(11)6-11/h3-5,7H,1-2,6H2/t7-,11-/m1/s1
InChIKeyIZBMPDKWKGIJQD-RDDDGLTNSA-N
XLogP2.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane?
The IUPAC name of (1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane (CID 125434703) is (1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane.
What is the SMILES notation for (1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane?
The canonical SMILES for (1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane is O=S(=O)(c1cc(F)cc(F)c1)[C@@]12CC[C@@H]1C2.
What is the InChIKey of (1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane?
The InChIKey is IZBMPDKWKGIJQD-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H10F2O2S/c12-8-3-9(13)5-10(4-8)16(14,15)11-2-1-7(11)6-11/h3-5,7H,1-2,6H2/t7-,11-/m1/s1.
What are the key properties of (1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane?
(1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane has a molecular weight of 244.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1-(3,5-difluorophenyl)sulfonylbicyclo[2.1.0]pentane is sourced from PubChem (CID 125434703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).