ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane

C8H10F6S — CID 178092886

IUPACethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane
SMILESCC.Fc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C6H4F6S.C2H6/c7-5-1-3-6(4-2-5)13(8,9,10,11)12;1-2/h1-4H;1-2H3
InChIKeyNSLBPAJOBOEPTF-UHFFFAOYSA-N
MW252.22 g/mol
LogP5.51
Rot. Bonds1

About ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane

ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane (PubChem CID 178092886) has the molecular formula C8H10F6S and a molecular weight of 252.22 g/mol. Its IUPAC name is ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane.

Molecular Properties

Compound Nameethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane
PubChem CID178092886
Molecular FormulaC8H10F6S
Molecular Weight252.22 g/mol
Exact Mass252.04
IUPAC Nameethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane
SMILESCC.Fc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C6H4F6S.C2H6/c7-5-1-3-6(4-2-5)13(8,9,10,11)12;1-2/h1-4H;1-2H3
InChIKeyNSLBPAJOBOEPTF-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.22
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane
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2-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-2-amine
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CID 174965184
pentafluoro-[4-[2-(4-propylphenyl)ethyl]phenyl]-λ6-sulfane
CID 54134120
trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine
CID 102101183
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
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Frequently Asked Questions

What is the IUPAC name of ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane?
The IUPAC name of ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane (CID 178092886) is ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane.
What is the SMILES notation for ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane?
The canonical SMILES for ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane is CC.Fc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane?
The InChIKey is NSLBPAJOBOEPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6S.C2H6/c7-5-1-3-6(4-2-5)13(8,9,10,11)12;1-2/h1-4H;1-2H3.
What are the key properties of ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane?
ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane has a molecular weight of 252.22 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane is sourced from PubChem (CID 178092886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).