2-(fluoromethylsulfanyl)-2-methylpropane

C5H11FS — CID 13440978

IUPAC2-(fluoromethylsulfanyl)-2-methylpropane
SMILESCC(C)(C)SCF
InChIInChI=1S/C5H11FS/c1-5(2,3)7-4-6/h4H2,1-3H3
InChIKeyHIMSRJUAGLEREQ-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.45
Rot. Bonds1

About 2-(fluoromethylsulfanyl)-2-methylpropane

2-(fluoromethylsulfanyl)-2-methylpropane (PubChem CID 13440978) has the molecular formula C5H11FS and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-(fluoromethylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name2-(fluoromethylsulfanyl)-2-methylpropane
PubChem CID13440978
Molecular FormulaC5H11FS
Molecular Weight122.21 g/mol
Exact Mass122.06
IUPAC Name2-(fluoromethylsulfanyl)-2-methylpropane
SMILESCC(C)(C)SCF
InChIInChI=1S/C5H11FS/c1-5(2,3)7-4-6/h4H2,1-3H3
InChIKeyHIMSRJUAGLEREQ-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylsulfanyl)-2-methylpropane?
The IUPAC name of 2-(fluoromethylsulfanyl)-2-methylpropane (CID 13440978) is 2-(fluoromethylsulfanyl)-2-methylpropane.
What is the SMILES notation for 2-(fluoromethylsulfanyl)-2-methylpropane?
The canonical SMILES for 2-(fluoromethylsulfanyl)-2-methylpropane is CC(C)(C)SCF.
What is the InChIKey of 2-(fluoromethylsulfanyl)-2-methylpropane?
The InChIKey is HIMSRJUAGLEREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FS/c1-5(2,3)7-4-6/h4H2,1-3H3.
What are the key properties of 2-(fluoromethylsulfanyl)-2-methylpropane?
2-(fluoromethylsulfanyl)-2-methylpropane has a molecular weight of 122.21 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfanyl)-2-methylpropane is sourced from PubChem (CID 13440978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).