1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane

C10H4F18S2 — CID 87624063

IUPAC1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane
SMILESFC(F)(F)CC(SSC(CC(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F18S2/c11-5(12,13)1-3(7(17,18)19,8(20,21)22)29-30-4(9(23,24)25,10(26,27)28)2-6(14,15)16/h1-2H2
InChIKeyDJZZAFWIBHQOBK-UHFFFAOYSA-N
MW530.24 g/mol
LogP8.00
Rot. Bonds5

About 1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane

1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane (PubChem CID 87624063) has the molecular formula C10H4F18S2 and a molecular weight of 530.24 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane
PubChem CID87624063
Molecular FormulaC10H4F18S2
Molecular Weight530.24 g/mol
Exact Mass529.95
IUPAC Name1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane
SMILESFC(F)(F)CC(SSC(CC(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F18S2/c11-5(12,13)1-3(7(17,18)19,8(20,21)22)29-30-4(9(23,24)25,10(26,27)28)2-6(14,15)16/h1-2H2
InChIKeyDJZZAFWIBHQOBK-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.24
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane with MolForge

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Related Compounds

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
azane;1,1,1,3,3,3-hexafluoropropane
CID 175100137
CID 158264253
CID 158264253
1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane
CID 87155127
1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane
CID 158764810
3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol
CID 139735073
tris(1,1,2,2,4,4,4-heptafluorobutoxy)silane
CID 154326883
1,1,3,3,3-pentafluoropropyl hypofluorite
CID 22094285
1,1,1,3,3,3-hexafluoropropane;piperazine
CID 175330511
N,1,1,3,3,3-hexafluoropropane-1-sulfonamide
CID 87542493
2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane
CID 175373281
1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
CID 11964067

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane (CID 87624063) is 1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane is FC(F)(F)CC(SSC(CC(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane?
The InChIKey is DJZZAFWIBHQOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F18S2/c11-5(12,13)1-3(7(17,18)19,8(20,21)22)29-30-4(9(23,24)25,10(26,27)28)2-6(14,15)16/h1-2H2.
What are the key properties of 1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane?
1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane has a molecular weight of 530.24 g/mol, XLogP of 8.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,4-hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane is sourced from PubChem (CID 87624063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).