dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride

C4H6Cl5F3S2-2 — CID 159771517

IUPACdichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride
SMILESCSC(Cl)(Cl)Cl.CSC(F)(Cl)Cl.[F-].[F-]
InChIInChI=1S/C2H3Cl3S.C2H3Cl2FS.2FH/c2*1-6-2(3,4)5;;/h2*1H3;2*1H/p-2
InChIKeyNGEBLKDXFBYIKC-UHFFFAOYSA-L
MW352.49 g/mol
LogP-0.91
Rot. Bonds1

About dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride

dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride (PubChem CID 159771517) has the molecular formula C4H6Cl5F3S2-2 and a molecular weight of 352.49 g/mol. Its IUPAC name is dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride.

Molecular Properties

Compound Namedichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride
PubChem CID159771517
Molecular FormulaC4H6Cl5F3S2-2
Molecular Weight352.49 g/mol
Exact Mass349.83
IUPAC Namedichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride
SMILESCSC(Cl)(Cl)Cl.CSC(F)(Cl)Cl.[F-].[F-]
InChIInChI=1S/C2H3Cl3S.C2H3Cl2FS.2FH/c2*1-6-2(3,4)5;;/h2*1H3;2*1H/p-2
InChIKeyNGEBLKDXFBYIKC-UHFFFAOYSA-L
XLogP-0.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride?
The IUPAC name of dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride (CID 159771517) is dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride.
What is the SMILES notation for dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride?
The canonical SMILES for dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride is CSC(Cl)(Cl)Cl.CSC(F)(Cl)Cl.[F-].[F-].
What is the InChIKey of dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride?
The InChIKey is NGEBLKDXFBYIKC-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H3Cl3S.C2H3Cl2FS.2FH/c2*1-6-2(3,4)5;;/h2*1H3;2*1H/p-2.
What are the key properties of dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride?
dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride has a molecular weight of 352.49 g/mol, XLogP of -0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-fluoro-methylsulfanylmethane;trichloro(methylsulfanyl)methane;difluoride is sourced from PubChem (CID 159771517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).