2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane

C8F18S2 — CID 138977229

IUPAC2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane
SMILESFC(F)(F)SC(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)SC(F)(F)F
InChIInChI=1S/C8F18S2/c9-1(3(11,12)13,5(17,18)27-7(21,22)23)2(10,4(14,15)16)6(19,20)28-8(24,25)26
InChIKeyHEXYCXQQJKIFPU-UHFFFAOYSA-N
MW502.19 g/mol
LogP7.22
Rot. Bonds5

About 2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane

2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane (PubChem CID 138977229) has the molecular formula C8F18S2 and a molecular weight of 502.19 g/mol. Its IUPAC name is 2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane.

Molecular Properties

Compound Name2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane
PubChem CID138977229
Molecular FormulaC8F18S2
Molecular Weight502.19 g/mol
Exact Mass501.92
IUPAC Name2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane
SMILESFC(F)(F)SC(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)SC(F)(F)F
InChIInChI=1S/C8F18S2/c9-1(3(11,12)13,5(17,18)27-7(21,22)23)2(10,4(14,15)16)6(19,20)28-8(24,25)26
InChIKeyHEXYCXQQJKIFPU-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.19
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,2,3,3,3-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)propane
CID 12642879
1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfanyl)butane;hydrate
CID 86747578
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 175593131
1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane
CID 134989448
cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)
CID 173155428
1,1,2,3,3,3-hexafluoro-N,N-bis[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)propan-1-amine
CID 18981565
[1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite
CID 87319034
2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane
CID 139983372
1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane
CID 89358349
1,1,1,4,4,4-hexafluoro-2-[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]sulfanyl-2-(trifluoromethyl)butane
CID 87625207
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 4156734
potassium;1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-ol;hydride
CID 174272678

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane?
The IUPAC name of 2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane (CID 138977229) is 2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane.
What is the SMILES notation for 2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane?
The canonical SMILES for 2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane is FC(F)(F)SC(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)SC(F)(F)F.
What is the InChIKey of 2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane?
The InChIKey is HEXYCXQQJKIFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F18S2/c9-1(3(11,12)13,5(17,18)27-7(21,22)23)2(10,4(14,15)16)6(19,20)28-8(24,25)26.
What are the key properties of 2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane?
2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane has a molecular weight of 502.19 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[difluoro(trifluoromethylsulfanyl)methyl]-1,1,1,2,3,4,4,4-octafluorobutane is sourced from PubChem (CID 138977229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).