2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid

C8H12F2O4S — CID 65442924

IUPAC2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)CC(F)F)CC1
InChIInChI=1S/C8H12F2O4S/c9-6(10)4-15(13,14)5-8(1-2-8)3-7(11)12/h6H,1-5H2,(H,11,12)
InChIKeyVMSGFZCRXYISKQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.92
Rot. Bonds6

About 2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid

2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid (PubChem CID 65442924) has the molecular formula C8H12F2O4S and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid
PubChem CID65442924
Molecular FormulaC8H12F2O4S
Molecular Weight242.24 g/mol
Exact Mass242.04
IUPAC Name2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)CC(F)F)CC1
InChIInChI=1S/C8H12F2O4S/c9-6(10)4-15(13,14)5-8(1-2-8)3-7(11)12/h6H,1-5H2,(H,11,12)
InChIKeyVMSGFZCRXYISKQ-UHFFFAOYSA-N
XLogP0.92
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid (CID 65442924) is 2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CS(=O)(=O)CC(F)F)CC1.
What is the InChIKey of 2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
The InChIKey is VMSGFZCRXYISKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O4S/c9-6(10)4-15(13,14)5-8(1-2-8)3-7(11)12/h6H,1-5H2,(H,11,12).
What are the key properties of 2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid has a molecular weight of 242.24 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65442924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).