1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane

C7H12F4S3 — CID 135297188

IUPAC1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane
SMILESCSCC(C(F)(F)SC)C(F)(F)SC
InChIInChI=1S/C7H12F4S3/c1-12-4-5(6(8,9)13-2)7(10,11)14-3/h5H,4H2,1-3H3
InChIKeyACVHYLWCYXPHRQ-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.88
Rot. Bonds6

About 1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane

1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane (PubChem CID 135297188) has the molecular formula C7H12F4S3 and a molecular weight of 268.37 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane.

Molecular Properties

Compound Name1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane
PubChem CID135297188
Molecular FormulaC7H12F4S3
Molecular Weight268.37 g/mol
Exact Mass268.00
IUPAC Name1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane
SMILESCSCC(C(F)(F)SC)C(F)(F)SC
InChIInChI=1S/C7H12F4S3/c1-12-4-5(6(8,9)13-2)7(10,11)14-3/h5H,4H2,1-3H3
InChIKeyACVHYLWCYXPHRQ-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane?
The IUPAC name of 1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane (CID 135297188) is 1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane.
What is the SMILES notation for 1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane?
The canonical SMILES for 1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane is CSCC(C(F)(F)SC)C(F)(F)SC.
What is the InChIKey of 1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane?
The InChIKey is ACVHYLWCYXPHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4S3/c1-12-4-5(6(8,9)13-2)7(10,11)14-3/h5H,4H2,1-3H3.
What are the key properties of 1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane?
1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane has a molecular weight of 268.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane is sourced from PubChem (CID 135297188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).