1,1,1-trifluoro-3-methylsulfanylpropane

C4H7F3S — CID 87155189

IUPAC1,1,1-trifluoro-3-methylsulfanylpropane
SMILESCSCCC(F)(F)F
InChIInChI=1S/C4H7F3S/c1-8-3-2-4(5,6)7/h2-3H2,1H3
InChIKeyZHEHOMHGFBETAB-UHFFFAOYSA-N
MW144.16 g/mol
LogP2.30
Rot. Bonds2

About 1,1,1-trifluoro-3-methylsulfanylpropane

1,1,1-trifluoro-3-methylsulfanylpropane (PubChem CID 87155189) has the molecular formula C4H7F3S and a molecular weight of 144.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methylsulfanylpropane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methylsulfanylpropane
PubChem CID87155189
Molecular FormulaC4H7F3S
Molecular Weight144.16 g/mol
Exact Mass144.02
IUPAC Name1,1,1-trifluoro-3-methylsulfanylpropane
SMILESCSCCC(F)(F)F
InChIInChI=1S/C4H7F3S/c1-8-3-2-4(5,6)7/h2-3H2,1H3
InChIKeyZHEHOMHGFBETAB-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Trifluoromethyl ethyl sulfide
CID 582485
Ethyl hexafluoroisopropyl sulfide
CID 12567442
1,1,1-Trifluoro-2-(methylsulfanyl)ethane
CID 13360361
Methyl 2,2-bis(trifluoromethyl)-3,3,3-trifluoropropyl sulfide
CID 13152330
1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfanyl)propane
CID 134968095
2-(Ethylthio)-1,1,1-trifluoroethane
CID 6432510
Tetrafluoropropyl sulfide
CID 87155176
4,4,4-Trifluorobutyl methyl sulfide
CID 89333965
Butane, 1-[(trifluoromethyl)thio]-
CID 544786
Trifluoromethyl isopropyl sulfide
CID 588919
2-Fluoro-3-methylsulfanylbutane
CID 13461361
Hexyl(trifluoromethyl) sulfide
CID 21730948

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methylsulfanylpropane?
The IUPAC name of 1,1,1-trifluoro-3-methylsulfanylpropane (CID 87155189) is 1,1,1-trifluoro-3-methylsulfanylpropane.
What is the SMILES notation for 1,1,1-trifluoro-3-methylsulfanylpropane?
The canonical SMILES for 1,1,1-trifluoro-3-methylsulfanylpropane is CSCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methylsulfanylpropane?
The InChIKey is ZHEHOMHGFBETAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3S/c1-8-3-2-4(5,6)7/h2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-methylsulfanylpropane?
1,1,1-trifluoro-3-methylsulfanylpropane has a molecular weight of 144.16 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methylsulfanylpropane is sourced from PubChem (CID 87155189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).