1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane

C10H10F12O2S — CID 87623489

IUPAC1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane
SMILESO=S(=O)(C(CC(F)(F)F)CC(F)(F)F)C(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C10H10F12O2S/c11-7(12,13)1-5(2-8(14,15)16)25(23,24)6(3-9(17,18)19)4-10(20,21)22/h5-6H,1-4H2
InChIKeyOQPYSIRXBYMLFH-UHFFFAOYSA-N
MW422.23 g/mol
LogP4.95
Rot. Bonds6

About 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane

1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane (PubChem CID 87623489) has the molecular formula C10H10F12O2S and a molecular weight of 422.23 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane
PubChem CID87623489
Molecular FormulaC10H10F12O2S
Molecular Weight422.23 g/mol
Exact Mass422.02
IUPAC Name1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane
SMILESO=S(=O)(C(CC(F)(F)F)CC(F)(F)F)C(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C10H10F12O2S/c11-7(12,13)1-5(2-8(14,15)16)25(23,24)6(3-9(17,18)19)4-10(20,21)22/h5-6H,1-4H2
InChIKeyOQPYSIRXBYMLFH-UHFFFAOYSA-N
XLogP4.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane (CID 87623489) is 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane is O=S(=O)(C(CC(F)(F)F)CC(F)(F)F)C(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane?
The InChIKey is OQPYSIRXBYMLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12O2S/c11-7(12,13)1-5(2-8(14,15)16)25(23,24)6(3-9(17,18)19)4-10(20,21)22/h5-6H,1-4H2.
What are the key properties of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane?
1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane has a molecular weight of 422.23 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane is sourced from PubChem (CID 87623489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).