1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane

C8H8Cl2F8S — CID 15938575

IUPAC1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane
SMILESCCCSC(Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H8Cl2F8S/c1-2-3-19-8(9,10)7(17,18)6(15,16)5(13,14)4(11)12/h4H,2-3H2,1H3
InChIKeyVBVMDNSGCXJUTE-UHFFFAOYSA-N
MW359.11 g/mol
LogP5.43
Rot. Bonds7

About 1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane

1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane (PubChem CID 15938575) has the molecular formula C8H8Cl2F8S and a molecular weight of 359.11 g/mol. Its IUPAC name is 1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane.

Molecular Properties

Compound Name1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane
PubChem CID15938575
Molecular FormulaC8H8Cl2F8S
Molecular Weight359.11 g/mol
Exact Mass357.96
IUPAC Name1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane
SMILESCCCSC(Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H8Cl2F8S/c1-2-3-19-8(9,10)7(17,18)6(15,16)5(13,14)4(11)12/h4H,2-3H2,1H3
InChIKeyVBVMDNSGCXJUTE-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.11
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane?
The IUPAC name of 1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane (CID 15938575) is 1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane.
What is the SMILES notation for 1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane?
The canonical SMILES for 1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane is CCCSC(Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane?
The InChIKey is VBVMDNSGCXJUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2F8S/c1-2-3-19-8(9,10)7(17,18)6(15,16)5(13,14)4(11)12/h4H,2-3H2,1H3.
What are the key properties of 1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane?
1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane has a molecular weight of 359.11 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2,3,3,4,4,5,5-octafluoro-1-propylsulfanylpentane is sourced from PubChem (CID 15938575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).