N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline

C7H7F5N2OS — CID 146742531

IUPACN-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline
SMILESCNc1ccc(S(F)(F)(F)(F)F)cc1N=O
InChIInChI=1S/C7H7F5N2OS/c1-13-6-3-2-5(4-7(6)14-15)16(8,9,10,11)12/h2-4,13H,1H3
InChIKeyRLCGEEGLAYBTFI-UHFFFAOYSA-N
MW262.20 g/mol
LogP4.78
Rot. Bonds3

About N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline

N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline (PubChem CID 146742531) has the molecular formula C7H7F5N2OS and a molecular weight of 262.20 g/mol. Its IUPAC name is N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline.

Molecular Properties

Compound NameN-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline
PubChem CID146742531
Molecular FormulaC7H7F5N2OS
Molecular Weight262.20 g/mol
Exact Mass262.02
IUPAC NameN-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline
SMILESCNc1ccc(S(F)(F)(F)(F)F)cc1N=O
InChIInChI=1S/C7H7F5N2OS/c1-13-6-3-2-5(4-7(6)14-15)16(8,9,10,11)12/h2-4,13H,1H3
InChIKeyRLCGEEGLAYBTFI-UHFFFAOYSA-N
XLogP4.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline?
The IUPAC name of N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline (CID 146742531) is N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline.
What is the SMILES notation for N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline?
The canonical SMILES for N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline is CNc1ccc(S(F)(F)(F)(F)F)cc1N=O.
What is the InChIKey of N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline?
The InChIKey is RLCGEEGLAYBTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2OS/c1-13-6-3-2-5(4-7(6)14-15)16(8,9,10,11)12/h2-4,13H,1H3.
What are the key properties of N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline?
N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline has a molecular weight of 262.20 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline is sourced from PubChem (CID 146742531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).