(2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane

C7H11F3O2S — CID 147000874

IUPAC(2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane
SMILESCC1C[C@H]1CS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C7H11F3O2S/c1-5-2-6(5)3-13(11,12)4-7(8,9)10/h5-6H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeyARZWIHDVSWSJDX-GDVGLLTNSA-N
MW216.22 g/mol
LogP1.62
Rot. Bonds3

About (2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane

(2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane (PubChem CID 147000874) has the molecular formula C7H11F3O2S and a molecular weight of 216.22 g/mol. Its IUPAC name is (2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane.

Molecular Properties

Compound Name(2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane
PubChem CID147000874
Molecular FormulaC7H11F3O2S
Molecular Weight216.22 g/mol
Exact Mass216.04
IUPAC Name(2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane
SMILESCC1C[C@H]1CS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C7H11F3O2S/c1-5-2-6(5)3-13(11,12)4-7(8,9)10/h5-6H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeyARZWIHDVSWSJDX-GDVGLLTNSA-N
XLogP1.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane?
The IUPAC name of (2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane (CID 147000874) is (2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane.
What is the SMILES notation for (2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane?
The canonical SMILES for (2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane is CC1C[C@H]1CS(=O)(=O)CC(F)(F)F.
What is the InChIKey of (2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane?
The InChIKey is ARZWIHDVSWSJDX-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H11F3O2S/c1-5-2-6(5)3-13(11,12)4-7(8,9)10/h5-6H,2-4H2,1H3/t5?,6-/m0/s1.
What are the key properties of (2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane?
(2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane has a molecular weight of 216.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-2-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropane is sourced from PubChem (CID 147000874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).