benzyl(pentafluoro)-λ6-sulfane

C7H7F5S — CID 87842882

IUPACbenzyl(pentafluoro)-λ6-sulfane
SMILESFS(F)(F)(F)(F)Cc1ccccc1
InChIInChI=1S/C7H7F5S/c8-13(9,10,11,12)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyXAWWVXIRFMWKGM-UHFFFAOYSA-N
MW218.19 g/mol
LogP4.49
Rot. Bonds2

About benzyl(pentafluoro)-λ6-sulfane

benzyl(pentafluoro)-λ6-sulfane (PubChem CID 87842882) has the molecular formula C7H7F5S and a molecular weight of 218.19 g/mol. Its IUPAC name is benzyl(pentafluoro)-λ6-sulfane.

Molecular Properties

Compound Namebenzyl(pentafluoro)-λ6-sulfane
PubChem CID87842882
Molecular FormulaC7H7F5S
Molecular Weight218.19 g/mol
Exact Mass218.02
IUPAC Namebenzyl(pentafluoro)-λ6-sulfane
SMILESFS(F)(F)(F)(F)Cc1ccccc1
InChIInChI=1S/C7H7F5S/c8-13(9,10,11,12)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyXAWWVXIRFMWKGM-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-benzyl-2,4,4,5,5-pentafluoroimidazolidine
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ethane;phenylmethanamine;vanadium
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difluoromethane;phenylmethanamine
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1,4-diphenylbut-2-ene-2,3-diamine
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2-fluoroethylbenzene;hydrate
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N-benzyl-1-phenyl-N-silylmethanamine
CID 173404902
oxygen(2-);phenylmethanamine;vanadium;hydroxide
CID 11715324
1,3-diphenylpropan-2-ylazanium chloride
CID 67842912

Frequently Asked Questions

What is the IUPAC name of benzyl(pentafluoro)-λ6-sulfane?
The IUPAC name of benzyl(pentafluoro)-λ6-sulfane (CID 87842882) is benzyl(pentafluoro)-λ6-sulfane.
What is the SMILES notation for benzyl(pentafluoro)-λ6-sulfane?
The canonical SMILES for benzyl(pentafluoro)-λ6-sulfane is FS(F)(F)(F)(F)Cc1ccccc1.
What is the InChIKey of benzyl(pentafluoro)-λ6-sulfane?
The InChIKey is XAWWVXIRFMWKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5S/c8-13(9,10,11,12)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of benzyl(pentafluoro)-λ6-sulfane?
benzyl(pentafluoro)-λ6-sulfane has a molecular weight of 218.19 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(pentafluoro)-λ6-sulfane is sourced from PubChem (CID 87842882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).