1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane

C10H12F10S — CID 87128130

IUPAC1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane
SMILESCCC(SC(CC)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10S/c1-3-5(7(11,12)9(15,16)17)21-6(4-2)8(13,14)10(18,19)20/h5-6H,3-4H2,1-2H3
InChIKeyBKOVOPCGHVUCAG-UHFFFAOYSA-N
MW354.25 g/mol
LogP5.67
Rot. Bonds6

About 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane

1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane (PubChem CID 87128130) has the molecular formula C10H12F10S and a molecular weight of 354.25 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane
PubChem CID87128130
Molecular FormulaC10H12F10S
Molecular Weight354.25 g/mol
Exact Mass354.05
IUPAC Name1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane
SMILESCCC(SC(CC)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10S/c1-3-5(7(11,12)9(15,16)17)21-6(4-2)8(13,14)10(18,19)20/h5-6H,3-4H2,1-2H3
InChIKeyBKOVOPCGHVUCAG-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane (CID 87128130) is 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane is CCC(SC(CC)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane?
The InChIKey is BKOVOPCGHVUCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10S/c1-3-5(7(11,12)9(15,16)17)21-6(4-2)8(13,14)10(18,19)20/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane?
1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane has a molecular weight of 354.25 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfanyl)pentane is sourced from PubChem (CID 87128130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).