2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane

C6H11F3S — CID 23261775

IUPAC2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane
SMILESCC(C)(C)SC(F)(F)CF
InChIInChI=1S/C6H11F3S/c1-5(2,3)10-6(8,9)4-7/h4H2,1-3H3
InChIKeyRASFERRTAQVLAJ-UHFFFAOYSA-N
MW172.21 g/mol
LogP3.08
Rot. Bonds2

About 2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane

2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane (PubChem CID 23261775) has the molecular formula C6H11F3S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane.

Molecular Properties

Compound Name2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane
PubChem CID23261775
Molecular FormulaC6H11F3S
Molecular Weight172.21 g/mol
Exact Mass172.05
IUPAC Name2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane
SMILESCC(C)(C)SC(F)(F)CF
InChIInChI=1S/C6H11F3S/c1-5(2,3)10-6(8,9)4-7/h4H2,1-3H3
InChIKeyRASFERRTAQVLAJ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane?
The IUPAC name of 2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane (CID 23261775) is 2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane.
What is the SMILES notation for 2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane?
The canonical SMILES for 2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane is CC(C)(C)SC(F)(F)CF.
What is the InChIKey of 2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane?
The InChIKey is RASFERRTAQVLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3S/c1-5(2,3)10-6(8,9)4-7/h4H2,1-3H3.
What are the key properties of 2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane?
2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane has a molecular weight of 172.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane is sourced from PubChem (CID 23261775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).