2,2-difluoroethylsulfanylmethylcyclopropane

C6H10F2S — CID 130682739

IUPAC2,2-difluoroethylsulfanylmethylcyclopropane
SMILESFC(F)CSCC1CC1
InChIInChI=1S/C6H10F2S/c7-6(8)4-9-3-5-1-2-5/h5-6H,1-4H2
InChIKeyNOAFUVSAVOIUIF-UHFFFAOYSA-N
MW152.21 g/mol
LogP2.39
Rot. Bonds4

About 2,2-difluoroethylsulfanylmethylcyclopropane

2,2-difluoroethylsulfanylmethylcyclopropane (PubChem CID 130682739) has the molecular formula C6H10F2S and a molecular weight of 152.21 g/mol. Its IUPAC name is 2,2-difluoroethylsulfanylmethylcyclopropane.

Molecular Properties

Compound Name2,2-difluoroethylsulfanylmethylcyclopropane
PubChem CID130682739
Molecular FormulaC6H10F2S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name2,2-difluoroethylsulfanylmethylcyclopropane
SMILESFC(F)CSCC1CC1
InChIInChI=1S/C6H10F2S/c7-6(8)4-9-3-5-1-2-5/h5-6H,1-4H2
InChIKeyNOAFUVSAVOIUIF-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethylsulfanylmethylcyclopropane?
The IUPAC name of 2,2-difluoroethylsulfanylmethylcyclopropane (CID 130682739) is 2,2-difluoroethylsulfanylmethylcyclopropane.
What is the SMILES notation for 2,2-difluoroethylsulfanylmethylcyclopropane?
The canonical SMILES for 2,2-difluoroethylsulfanylmethylcyclopropane is FC(F)CSCC1CC1.
What is the InChIKey of 2,2-difluoroethylsulfanylmethylcyclopropane?
The InChIKey is NOAFUVSAVOIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2S/c7-6(8)4-9-3-5-1-2-5/h5-6H,1-4H2.
What are the key properties of 2,2-difluoroethylsulfanylmethylcyclopropane?
2,2-difluoroethylsulfanylmethylcyclopropane has a molecular weight of 152.21 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethylsulfanylmethylcyclopropane is sourced from PubChem (CID 130682739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).