3,5-bis(pentafluoro-λ6-sulfanyl)aniline

C6H5F10NS2 — CID 10269061

IUPAC3,5-bis(pentafluoro-λ6-sulfanyl)aniline
SMILESNc1cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H5F10NS2/c7-18(8,9,10,11)5-1-4(17)2-6(3-5)19(12,13,14,15)16/h1-3H,17H2
InChIKeyULRBZDHLJJCGGE-UHFFFAOYSA-N
MW345.23 g/mol
LogP6.58
Rot. Bonds2

About 3,5-bis(pentafluoro-λ6-sulfanyl)aniline

3,5-bis(pentafluoro-λ6-sulfanyl)aniline (PubChem CID 10269061) has the molecular formula C6H5F10NS2 and a molecular weight of 345.23 g/mol. Its IUPAC name is 3,5-bis(pentafluoro-λ6-sulfanyl)aniline.

Molecular Properties

Compound Name3,5-bis(pentafluoro-λ6-sulfanyl)aniline
PubChem CID10269061
Molecular FormulaC6H5F10NS2
Molecular Weight345.23 g/mol
Exact Mass344.97
IUPAC Name3,5-bis(pentafluoro-λ6-sulfanyl)aniline
SMILESNc1cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H5F10NS2/c7-18(8,9,10,11)5-1-4(17)2-6(3-5)19(12,13,14,15)16/h1-3H,17H2
InChIKeyULRBZDHLJJCGGE-UHFFFAOYSA-N
XLogP6.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(pentafluoro-λ6-sulfanyl)aniline?
The IUPAC name of 3,5-bis(pentafluoro-λ6-sulfanyl)aniline (CID 10269061) is 3,5-bis(pentafluoro-λ6-sulfanyl)aniline.
What is the SMILES notation for 3,5-bis(pentafluoro-λ6-sulfanyl)aniline?
The canonical SMILES for 3,5-bis(pentafluoro-λ6-sulfanyl)aniline is Nc1cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of 3,5-bis(pentafluoro-λ6-sulfanyl)aniline?
The InChIKey is ULRBZDHLJJCGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F10NS2/c7-18(8,9,10,11)5-1-4(17)2-6(3-5)19(12,13,14,15)16/h1-3H,17H2.
What are the key properties of 3,5-bis(pentafluoro-λ6-sulfanyl)aniline?
3,5-bis(pentafluoro-λ6-sulfanyl)aniline has a molecular weight of 345.23 g/mol, XLogP of 6.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(pentafluoro-λ6-sulfanyl)aniline is sourced from PubChem (CID 10269061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).