1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene

C18H12F10S2 — CID 130313776

IUPAC1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene
SMILESFc1ccc(SCC(F)(F)CC(F)(F)CC(F)(F)Sc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C18H12F10S2/c19-10-1-3-14(12(21)5-10)29-9-17(25,26)7-16(23,24)8-18(27,28)30-15-4-2-11(20)6-13(15)22/h1-6H,7-9H2
InChIKeyMYXKTNJCZLVUPA-UHFFFAOYSA-N
MW482.41 g/mol
LogP7.77
Rot. Bonds9

About 1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene

1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene (PubChem CID 130313776) has the molecular formula C18H12F10S2 and a molecular weight of 482.41 g/mol. Its IUPAC name is 1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene
PubChem CID130313776
Molecular FormulaC18H12F10S2
Molecular Weight482.41 g/mol
Exact Mass482.02
IUPAC Name1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene
SMILESFc1ccc(SCC(F)(F)CC(F)(F)CC(F)(F)Sc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C18H12F10S2/c19-10-1-3-14(12(21)5-10)29-9-17(25,26)7-16(23,24)8-18(27,28)30-15-4-2-11(20)6-13(15)22/h1-6H,7-9H2
InChIKeyMYXKTNJCZLVUPA-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.41
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene with MolForge

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Related Compounds

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CID 114496170
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1-(6-chlorohexylsulfanyl)-2,4-difluorobenzene
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CID 107524316
1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene
CID 131219284
1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene
CID 52520219
2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
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2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
CID 62045799
2-[2-(2,4-difluorophenyl)sulfanylethyl]-1,3-dioxane
CID 66475176

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene?
The IUPAC name of 1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene (CID 130313776) is 1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene.
What is the SMILES notation for 1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene?
The canonical SMILES for 1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene is Fc1ccc(SCC(F)(F)CC(F)(F)CC(F)(F)Sc2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene?
The InChIKey is MYXKTNJCZLVUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F10S2/c19-10-1-3-14(12(21)5-10)29-9-17(25,26)7-16(23,24)8-18(27,28)30-15-4-2-11(20)6-13(15)22/h1-6H,7-9H2.
What are the key properties of 1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene?
1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene has a molecular weight of 482.41 g/mol, XLogP of 7.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-difluorophenyl)sulfanyl-1,1,3,3,5,5-hexafluorohexyl]sulfanyl-2,4-difluorobenzene is sourced from PubChem (CID 130313776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).