pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane

C6H3F6NS2 — CID 123259748

IUPACpentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane
SMILESFc1cc(N=S)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H3F6NS2/c7-4-1-5(13-14)3-6(2-4)15(8,9,10,11)12/h1-3H
InChIKeyROJXJXLOWQSEJW-UHFFFAOYSA-N
MW267.22 g/mol
LogP4.85
Rot. Bonds2

About pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane

pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane (PubChem CID 123259748) has the molecular formula C6H3F6NS2 and a molecular weight of 267.22 g/mol. Its IUPAC name is pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane
PubChem CID123259748
Molecular FormulaC6H3F6NS2
Molecular Weight267.22 g/mol
Exact Mass266.96
IUPAC Namepentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane
SMILESFc1cc(N=S)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H3F6NS2/c7-4-1-5(13-14)3-6(2-4)15(8,9,10,11)12/h1-3H
InChIKeyROJXJXLOWQSEJW-UHFFFAOYSA-N
XLogP4.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Pentafluoro-lambda6-sulfanyl)aniline
CID 2779188
3-Fluoro-5-(pentafluorosulfur)aniline
CID 66523473
1-Fluoro-4-nitro-2-(pentafluoro-lambda6-sulfanyl)benzene
CID 15544164
5-Fluoro-3-nitrophenylsulphur pentafluoride
CID 45790459
3-Isothiocyanato-phenylsulfur pentafluoride
CID 86707674
Aminofluorobenzenethiol
CID 91873910
1-Azido-3-(pentafluoro-lambda6-sulfanyl)benzene
CID 132284923
Difluoro-(3-methylsulfanylphenyl)imino-oxo-lambda6-sulfane
CID 162405447
3-Pentafluorobenzenediazonium tetrafluoroborate
CID 122235276
3,5-Difluoro-4-(pentafluoro-lambda6-sulfanyl)aniline
CID 11207552
3-Fluoro-4-(pentafluorosulfur)aniline
CID 11424898
3,5-Bis(pentafluorosulfanyl)phenyl amine
CID 10269061

Frequently Asked Questions

What is the IUPAC name of pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane?
The IUPAC name of pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane (CID 123259748) is pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane?
The canonical SMILES for pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane is Fc1cc(N=S)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane?
The InChIKey is ROJXJXLOWQSEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6NS2/c7-4-1-5(13-14)3-6(2-4)15(8,9,10,11)12/h1-3H.
What are the key properties of pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane?
pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane has a molecular weight of 267.22 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-(3-fluoro-5-thionitrosophenyl)-λ6-sulfane is sourced from PubChem (CID 123259748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).