trifluoromethylsulfanylmethylcyclopropane

C5H7F3S — CID 89193694

IUPACtrifluoromethylsulfanylmethylcyclopropane
SMILESFC(F)(F)SCC1CC1
InChIInChI=1S/C5H7F3S/c6-5(7,8)9-3-4-1-2-4/h4H,1-3H2
InChIKeyPROBULZGXFUTLN-UHFFFAOYSA-N
MW156.17 g/mol
LogP2.65
Rot. Bonds2

About trifluoromethylsulfanylmethylcyclopropane

trifluoromethylsulfanylmethylcyclopropane (PubChem CID 89193694) has the molecular formula C5H7F3S and a molecular weight of 156.17 g/mol. Its IUPAC name is trifluoromethylsulfanylmethylcyclopropane.

Molecular Properties

Compound Nametrifluoromethylsulfanylmethylcyclopropane
PubChem CID89193694
Molecular FormulaC5H7F3S
Molecular Weight156.17 g/mol
Exact Mass156.02
IUPAC Nametrifluoromethylsulfanylmethylcyclopropane
SMILESFC(F)(F)SCC1CC1
InChIInChI=1S/C5H7F3S/c6-5(7,8)9-3-4-1-2-4/h4H,1-3H2
InChIKeyPROBULZGXFUTLN-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfanylmethylcyclopropane?
The IUPAC name of trifluoromethylsulfanylmethylcyclopropane (CID 89193694) is trifluoromethylsulfanylmethylcyclopropane.
What is the SMILES notation for trifluoromethylsulfanylmethylcyclopropane?
The canonical SMILES for trifluoromethylsulfanylmethylcyclopropane is FC(F)(F)SCC1CC1.
What is the InChIKey of trifluoromethylsulfanylmethylcyclopropane?
The InChIKey is PROBULZGXFUTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3S/c6-5(7,8)9-3-4-1-2-4/h4H,1-3H2.
What are the key properties of trifluoromethylsulfanylmethylcyclopropane?
trifluoromethylsulfanylmethylcyclopropane has a molecular weight of 156.17 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfanylmethylcyclopropane is sourced from PubChem (CID 89193694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).