2-methyl-1-(trifluoromethylsulfanyl)propane

C5H9F3S — CID 22015920

IUPAC2-methyl-1-(trifluoromethylsulfanyl)propane
SMILESCC(C)CSC(F)(F)F
InChIInChI=1S/C5H9F3S/c1-4(2)3-9-5(6,7)8/h4H,3H2,1-2H3
InChIKeyPUZPDHQVJAYYMR-UHFFFAOYSA-N
MW158.19 g/mol
LogP2.90
Rot. Bonds2

About 2-methyl-1-(trifluoromethylsulfanyl)propane

2-methyl-1-(trifluoromethylsulfanyl)propane (PubChem CID 22015920) has the molecular formula C5H9F3S and a molecular weight of 158.19 g/mol. Its IUPAC name is 2-methyl-1-(trifluoromethylsulfanyl)propane.

Molecular Properties

Compound Name2-methyl-1-(trifluoromethylsulfanyl)propane
PubChem CID22015920
Molecular FormulaC5H9F3S
Molecular Weight158.19 g/mol
Exact Mass158.04
IUPAC Name2-methyl-1-(trifluoromethylsulfanyl)propane
SMILESCC(C)CSC(F)(F)F
InChIInChI=1S/C5H9F3S/c1-4(2)3-9-5(6,7)8/h4H,3H2,1-2H3
InChIKeyPUZPDHQVJAYYMR-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(trifluoromethylsulfanyl)propane?
The IUPAC name of 2-methyl-1-(trifluoromethylsulfanyl)propane (CID 22015920) is 2-methyl-1-(trifluoromethylsulfanyl)propane.
What is the SMILES notation for 2-methyl-1-(trifluoromethylsulfanyl)propane?
The canonical SMILES for 2-methyl-1-(trifluoromethylsulfanyl)propane is CC(C)CSC(F)(F)F.
What is the InChIKey of 2-methyl-1-(trifluoromethylsulfanyl)propane?
The InChIKey is PUZPDHQVJAYYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3S/c1-4(2)3-9-5(6,7)8/h4H,3H2,1-2H3.
What are the key properties of 2-methyl-1-(trifluoromethylsulfanyl)propane?
2-methyl-1-(trifluoromethylsulfanyl)propane has a molecular weight of 158.19 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(trifluoromethylsulfanyl)propane is sourced from PubChem (CID 22015920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).