3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline

C6H4F7NS — CID 11207552

IUPAC3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline
SMILESNc1cc(F)c(S(F)(F)(F)(F)F)c(F)c1
InChIInChI=1S/C6H4F7NS/c7-4-1-3(14)2-5(8)6(4)15(9,10,11,12)13/h1-2H,14H2
InChIKeyVVNWGZFZFTYPEJ-UHFFFAOYSA-N
MW255.16 g/mol
LogP4.20
Rot. Bonds1

About 3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline

3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline (PubChem CID 11207552) has the molecular formula C6H4F7NS and a molecular weight of 255.16 g/mol. Its IUPAC name is 3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline
PubChem CID11207552
Molecular FormulaC6H4F7NS
Molecular Weight255.16 g/mol
Exact Mass255.00
IUPAC Name3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline
SMILESNc1cc(F)c(S(F)(F)(F)(F)F)c(F)c1
InChIInChI=1S/C6H4F7NS/c7-4-1-3(14)2-5(8)6(4)15(9,10,11,12)13/h1-2H,14H2
InChIKeyVVNWGZFZFTYPEJ-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 54.20
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-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline?
The IUPAC name of 3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline (CID 11207552) is 3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline.
What is the SMILES notation for 3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline?
The canonical SMILES for 3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline is Nc1cc(F)c(S(F)(F)(F)(F)F)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline?
The InChIKey is VVNWGZFZFTYPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F7NS/c7-4-1-3(14)2-5(8)6(4)15(9,10,11,12)13/h1-2H,14H2.
What are the key properties of 3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline?
3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline has a molecular weight of 255.16 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline is sourced from PubChem (CID 11207552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).