pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane

C10H12F6S — CID 170246244

IUPACpentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane
SMILESCc1cc(C(C)C)cc(F)c1S(F)(F)(F)(F)F
InChIInChI=1S/C10H12F6S/c1-6(2)8-4-7(3)10(9(11)5-8)17(12,13,14,15)16/h4-6H,1-3H3
InChIKeyBKWNPJJXDDGGFX-UHFFFAOYSA-N
MW278.26 g/mol
LogP5.91
Rot. Bonds2

About pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane

pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane (PubChem CID 170246244) has the molecular formula C10H12F6S and a molecular weight of 278.26 g/mol. Its IUPAC name is pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane
PubChem CID170246244
Molecular FormulaC10H12F6S
Molecular Weight278.26 g/mol
Exact Mass278.06
IUPAC Namepentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane
SMILESCc1cc(C(C)C)cc(F)c1S(F)(F)(F)(F)F
InChIInChI=1S/C10H12F6S/c1-6(2)8-4-7(3)10(9(11)5-8)17(12,13,14,15)16/h4-6H,1-3H3
InChIKeyBKWNPJJXDDGGFX-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.26
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane?
The IUPAC name of pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane (CID 170246244) is pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane?
The canonical SMILES for pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane is Cc1cc(C(C)C)cc(F)c1S(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane?
The InChIKey is BKWNPJJXDDGGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6S/c1-6(2)8-4-7(3)10(9(11)5-8)17(12,13,14,15)16/h4-6H,1-3H3.
What are the key properties of pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane?
pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane has a molecular weight of 278.26 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane is sourced from PubChem (CID 170246244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).