2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene

C11H15F7S2 — CID 15938579

IUPAC2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene
SMILESCCCSC(SCCC)=C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H15F7S2/c1-3-5-19-8(20-6-4-2)7(12)10(15,16)11(17,18)9(13)14/h9H,3-6H2,1-2H3
InChIKeyCCUBJSFPJBJGNA-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.95
Rot. Bonds9

About 2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene

2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene (PubChem CID 15938579) has the molecular formula C11H15F7S2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene.

Molecular Properties

Compound Name2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene
PubChem CID15938579
Molecular FormulaC11H15F7S2
Molecular Weight344.36 g/mol
Exact Mass344.05
IUPAC Name2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene
SMILESCCCSC(SCCC)=C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H15F7S2/c1-3-5-19-8(20-6-4-2)7(12)10(15,16)11(17,18)9(13)14/h9H,3-6H2,1-2H3
InChIKeyCCUBJSFPJBJGNA-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene
CID 102096238
1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene
CID 10379130
propyl 2,2,3,3-tetrafluoropropanedithioate
CID 4737269
2,2,3,3,4,4-hexafluoro-N-octadecylbutanamide
CID 4674729
2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene
CID 155490535
bis(propylsulfanyl)methanone
CID 536266
(E)-1,1,1,2,2,3,4-heptafluorohex-3-ene
CID 57455083
1,1,1,2,2,3,4-heptafluorohex-3-ene
CID 76545614
butylsulfanyl(propylsulfanyl)methanone
CID 101135926
2,2,3,3,4,4-hexafluorobutanoic acid;silver
CID 165155823
1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene
CID 87084484
[(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12,13,13,14-pentacosafluoroheptadec-10-enyl]phosphonic acid
CID 154963374

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene?
The IUPAC name of 2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene (CID 15938579) is 2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene.
What is the SMILES notation for 2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene?
The canonical SMILES for 2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene is CCCSC(SCCC)=C(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene?
The InChIKey is CCUBJSFPJBJGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F7S2/c1-3-5-19-8(20-6-4-2)7(12)10(15,16)11(17,18)9(13)14/h9H,3-6H2,1-2H3.
What are the key properties of 2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene?
2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene has a molecular weight of 344.36 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5-heptafluoro-1,1-bis(propylsulfanyl)pent-1-ene is sourced from PubChem (CID 15938579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).