(1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane

C8H15FO2S — CID 177256911

IUPAC(1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane
SMILESCC(C)(C)C(F)S(=O)(=O)C1CC1
InChIInChI=1S/C8H15FO2S/c1-8(2,3)7(9)12(10,11)6-4-5-6/h6-7H,4-5H2,1-3H3
InChIKeyWONXOYXHLAERFK-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.91
Rot. Bonds2

About (1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane

(1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane (PubChem CID 177256911) has the molecular formula C8H15FO2S and a molecular weight of 194.27 g/mol. Its IUPAC name is (1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane.

Molecular Properties

Compound Name(1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane
PubChem CID177256911
Molecular FormulaC8H15FO2S
Molecular Weight194.27 g/mol
Exact Mass194.08
IUPAC Name(1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane
SMILESCC(C)(C)C(F)S(=O)(=O)C1CC1
InChIInChI=1S/C8H15FO2S/c1-8(2,3)7(9)12(10,11)6-4-5-6/h6-7H,4-5H2,1-3H3
InChIKeyWONXOYXHLAERFK-UHFFFAOYSA-N
XLogP1.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane?
The IUPAC name of (1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane (CID 177256911) is (1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane.
What is the SMILES notation for (1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane?
The canonical SMILES for (1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane is CC(C)(C)C(F)S(=O)(=O)C1CC1.
What is the InChIKey of (1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane?
The InChIKey is WONXOYXHLAERFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2S/c1-8(2,3)7(9)12(10,11)6-4-5-6/h6-7H,4-5H2,1-3H3.
What are the key properties of (1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane?
(1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane has a molecular weight of 194.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2,2-dimethylpropyl)sulfonylcyclopropane is sourced from PubChem (CID 177256911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).