[2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane

C12H17F5S — CID 59583754

IUPAC[2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane
SMILESCC(C)c1ccc(C(C)C)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H17F5S/c1-8(2)10-5-6-11(9(3)4)12(7-10)18(13,14,15,16)17/h5-9H,1-4H3
InChIKeyVRXDQHNZNNRMOM-UHFFFAOYSA-N
MW288.33 g/mol
LogP6.59
Rot. Bonds3

About [2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane

[2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane (PubChem CID 59583754) has the molecular formula C12H17F5S and a molecular weight of 288.33 g/mol. Its IUPAC name is [2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane
PubChem CID59583754
Molecular FormulaC12H17F5S
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC Name[2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane
SMILESCC(C)c1ccc(C(C)C)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H17F5S/c1-8(2)10-5-6-11(9(3)4)12(7-10)18(13,14,15,16)17/h5-9H,1-4H3
InChIKeyVRXDQHNZNNRMOM-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.33
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane (CID 59583754) is [2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane is CC(C)c1ccc(C(C)C)c(S(F)(F)(F)(F)F)c1.
What is the InChIKey of [2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane?
The InChIKey is VRXDQHNZNNRMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F5S/c1-8(2)10-5-6-11(9(3)4)12(7-10)18(13,14,15,16)17/h5-9H,1-4H3.
What are the key properties of [2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane?
[2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane has a molecular weight of 288.33 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-di(propan-2-yl)phenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 59583754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).