1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene

C12F22S2 — CID 12828102

IUPAC1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)C(=C(SSC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F22S2/c13-5(14,11(29,30)31)3(1(7(17,18)19)8(20,21)22)35-36-4(6(15,16)12(32,33)34)2(9(23,24)25)10(26,27)28
InChIKeyBLOLIOVUNJCYMV-UHFFFAOYSA-N
MW626.22 g/mol
LogP9.52
Rot. Bonds5

About 1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene

1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene (PubChem CID 12828102) has the molecular formula C12F22S2 and a molecular weight of 626.22 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene
PubChem CID12828102
Molecular FormulaC12F22S2
Molecular Weight626.22 g/mol
Exact Mass625.91
IUPAC Name1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)C(=C(SSC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F22S2/c13-5(14,11(29,30)31)3(1(7(17,18)19)8(20,21)22)35-36-4(6(15,16)12(32,33)34)2(9(23,24)25)10(26,27)28
InChIKeyBLOLIOVUNJCYMV-UHFFFAOYSA-N
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.22
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene (CID 12828102) is 1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene is FC(F)(F)C(=C(SSC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene?
The InChIKey is BLOLIOVUNJCYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F22S2/c13-5(14,11(29,30)31)3(1(7(17,18)19)8(20,21)22)35-36-4(6(15,16)12(32,33)34)2(9(23,24)25)10(26,27)28.
What are the key properties of 1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene?
1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene has a molecular weight of 626.22 g/mol, XLogP of 9.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,5,5,5-octafluoro-3-[[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]disulfanyl]-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 12828102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).