2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane

C6H10F2OS — CID 118043643

IUPAC2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane
SMILESCCS(=O)CC1CC1(F)F
InChIInChI=1S/C6H10F2OS/c1-2-10(9)4-5-3-6(5,7)8/h5H,2-4H2,1H3
InChIKeyCPIZIXUKMMCCKN-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.41
Rot. Bonds3

About 2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane

2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane (PubChem CID 118043643) has the molecular formula C6H10F2OS and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane.

Molecular Properties

Compound Name2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane
PubChem CID118043643
Molecular FormulaC6H10F2OS
Molecular Weight168.21 g/mol
Exact Mass168.04
IUPAC Name2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane
SMILESCCS(=O)CC1CC1(F)F
InChIInChI=1S/C6H10F2OS/c1-2-10(9)4-5-3-6(5,7)8/h5H,2-4H2,1H3
InChIKeyCPIZIXUKMMCCKN-UHFFFAOYSA-N
XLogP1.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane?
The IUPAC name of 2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane (CID 118043643) is 2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane.
What is the SMILES notation for 2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane?
The canonical SMILES for 2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane is CCS(=O)CC1CC1(F)F.
What is the InChIKey of 2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane?
The InChIKey is CPIZIXUKMMCCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2OS/c1-2-10(9)4-5-3-6(5,7)8/h5H,2-4H2,1H3.
What are the key properties of 2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane?
2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane has a molecular weight of 168.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfinylmethyl)-1,1-difluorocyclopropane is sourced from PubChem (CID 118043643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).