pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane

C11H15F5S — CID 59591256

IUPACpentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane
SMILESCC(C)C(C)c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C11H15F5S/c1-8(2)9(3)10-4-6-11(7-5-10)17(12,13,14,15)16/h4-9H,1-3H3
InChIKeyBFUVDLCPTRDDRL-UHFFFAOYSA-N
MW274.30 g/mol
LogP6.10
Rot. Bonds3

About pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane

pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane (PubChem CID 59591256) has the molecular formula C11H15F5S and a molecular weight of 274.30 g/mol. Its IUPAC name is pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane
PubChem CID59591256
Molecular FormulaC11H15F5S
Molecular Weight274.30 g/mol
Exact Mass274.08
IUPAC Namepentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane
SMILESCC(C)C(C)c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C11H15F5S/c1-8(2)9(3)10-4-6-11(7-5-10)17(12,13,14,15)16/h4-9H,1-3H3
InChIKeyBFUVDLCPTRDDRL-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.30
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane (CID 59591256) is pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane is CC(C)C(C)c1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane?
The InChIKey is BFUVDLCPTRDDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5S/c1-8(2)9(3)10-4-6-11(7-5-10)17(12,13,14,15)16/h4-9H,1-3H3.
What are the key properties of pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane?
pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane has a molecular weight of 274.30 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[4-(3-methylbutan-2-yl)phenyl]-λ6-sulfane is sourced from PubChem (CID 59591256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).