ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane

C10H25F3S2 — CID 54246844

IUPACethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane
SMILESCC.CC.CSC.CSC(C)C(F)(F)F
InChIInChI=1S/C4H7F3S.C2H6S.2C2H6/c1-3(8-2)4(5,6)7;1-3-2;2*1-2/h3H,1-2H3;1-2H3;2*1-2H3
InChIKeyQTWAFYZDOGNZFG-UHFFFAOYSA-N
MW266.44 g/mol
LogP5.33
Rot. Bonds1

About ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane

ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane (PubChem CID 54246844) has the molecular formula C10H25F3S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane.

Molecular Properties

Compound Nameethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane
PubChem CID54246844
Molecular FormulaC10H25F3S2
Molecular Weight266.44 g/mol
Exact Mass266.13
IUPAC Nameethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane
SMILESCC.CC.CSC.CSC(C)C(F)(F)F
InChIInChI=1S/C4H7F3S.C2H6S.2C2H6/c1-3(8-2)4(5,6)7;1-3-2;2*1-2/h3H,1-2H3;1-2H3;2*1-2H3
InChIKeyQTWAFYZDOGNZFG-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane?
The IUPAC name of ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane (CID 54246844) is ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane.
What is the SMILES notation for ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane?
The canonical SMILES for ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane is CC.CC.CSC.CSC(C)C(F)(F)F.
What is the InChIKey of ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane?
The InChIKey is QTWAFYZDOGNZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3S.C2H6S.2C2H6/c1-3(8-2)4(5,6)7;1-3-2;2*1-2/h3H,1-2H3;1-2H3;2*1-2H3.
What are the key properties of ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane?
ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane has a molecular weight of 266.44 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane is sourced from PubChem (CID 54246844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).