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

C10H12F10O2S — CID 87624287

IUPAC1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfonyl)pentane
SMILESCCC(C(F)(F)C(F)(F)F)S(=O)(=O)C(CC)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10O2S/c1-3-5(7(11,12)9(15,16)17)23(21,22)6(4-2)8(13,14)10(18,19)20/h5-6H,3-4H2,1-2H3
InChIKeyMFVQGIIPHZBINV-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.35
Rot. Bonds6

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

1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfonyl)pentane (PubChem CID 87624287) has the molecular formula C10H12F10O2S and a molecular weight of 386.25 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfonyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfonyl)pentane
PubChem CID87624287
Molecular FormulaC10H12F10O2S
Molecular Weight386.25 g/mol
Exact Mass386.04
IUPAC Name1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfonyl)pentane
SMILESCCC(C(F)(F)C(F)(F)F)S(=O)(=O)C(CC)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10O2S/c1-3-5(7(11,12)9(15,16)17)23(21,22)6(4-2)8(13,14)10(18,19)20/h5-6H,3-4H2,1-2H3
InChIKeyMFVQGIIPHZBINV-UHFFFAOYSA-N
XLogP4.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ylsulfonyl)pentane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfonyl)pentane (CID 87624287) is 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfonyl)pentane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfonyl)pentane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfonyl)pentane is CCC(C(F)(F)C(F)(F)F)S(=O)(=O)C(CC)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-ylsulfonyl)pentane?
The InChIKey is MFVQGIIPHZBINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10O2S/c1-3-5(7(11,12)9(15,16)17)23(21,22)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-ylsulfonyl)pentane?
1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfonyl)pentane has a molecular weight of 386.25 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 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-ylsulfonyl)pentane is sourced from PubChem (CID 87624287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).