[amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium

C10H10F5N2S+ — CID 134110625

IUPAC[amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium
SMILESC[N+](C)=C(N)SCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5N2S/c1-17(2)10(16)18-3-4-5(11)7(13)9(15)8(14)6(4)12/h16H,3H2,1-2H3/p+1
InChIKeyOAPLTMGBKDOXTA-UHFFFAOYSA-O
MW285.26 g/mol
LogP2.20
Rot. Bonds2

About [amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium

[amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium (PubChem CID 134110625) has the molecular formula C10H10F5N2S+ and a molecular weight of 285.26 g/mol. Its IUPAC name is [amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium.

Molecular Properties

Compound Name[amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium
PubChem CID134110625
Molecular FormulaC10H10F5N2S+
Molecular Weight285.26 g/mol
Exact Mass285.05
IUPAC Name[amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium
SMILESC[N+](C)=C(N)SCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5N2S/c1-17(2)10(16)18-3-4-5(11)7(13)9(15)8(14)6(4)12/h16H,3H2,1-2H3/p+1
InChIKeyOAPLTMGBKDOXTA-UHFFFAOYSA-O
XLogP2.20
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium?
The IUPAC name of [amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium (CID 134110625) is [amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium.
What is the SMILES notation for [amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium?
The canonical SMILES for [amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium is C[N+](C)=C(N)SCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium?
The InChIKey is OAPLTMGBKDOXTA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9F5N2S/c1-17(2)10(16)18-3-4-5(11)7(13)9(15)8(14)6(4)12/h16H,3H2,1-2H3/p+1.
What are the key properties of [amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium?
[amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium has a molecular weight of 285.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]methylidene]-dimethylazanium is sourced from PubChem (CID 134110625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).