dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium

C9H9F5N3+ — CID 3383603

IUPACdimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium
SMILESC[N+](C)=CNNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H8F5N3/c1-17(2)3-15-16-9-7(13)5(11)4(10)6(12)8(9)14/h3,16H,1-2H3/p+1
InChIKeyZSPJSOGTSHLNFC-UHFFFAOYSA-O
MW254.18 g/mol
LogP1.60
Rot. Bonds3

About dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium

dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium (PubChem CID 3383603) has the molecular formula C9H9F5N3+ and a molecular weight of 254.18 g/mol. Its IUPAC name is dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium.

Molecular Properties

Compound Namedimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium
PubChem CID3383603
Molecular FormulaC9H9F5N3+
Molecular Weight254.18 g/mol
Exact Mass254.07
IUPAC Namedimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium
SMILESC[N+](C)=CNNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H8F5N3/c1-17(2)3-15-16-9-7(13)5(11)4(10)6(12)8(9)14/h3,16H,1-2H3/p+1
InChIKeyZSPJSOGTSHLNFC-UHFFFAOYSA-O
XLogP1.60
TPSA27.07 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 51.60
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline
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CID 107899168
1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotriphenylene
CID 12871319
3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine
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CID 115564372
N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline
CID 114188786
N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
CID 3375683
N-[3-methyl-1-oxo-1-[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]butan-2-yl]acetamide
CID 17424165
1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene
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2,3,4,5,6-pentafluoro-N-heptan-4-ylaniline
CID 115564089
2,3,4,5,6-pentafluoro-N-(2-propylsulfonylethyl)aniline
CID 106724196
2,2-dimethyl-3-(2,3,4,5,6-pentafluoroanilino)cyclobutan-1-ol
CID 112634227

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium?
The IUPAC name of dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium (CID 3383603) is dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium.
What is the SMILES notation for dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium?
The canonical SMILES for dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium is C[N+](C)=CNNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium?
The InChIKey is ZSPJSOGTSHLNFC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8F5N3/c1-17(2)3-15-16-9-7(13)5(11)4(10)6(12)8(9)14/h3,16H,1-2H3/p+1.
What are the key properties of dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium?
dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium has a molecular weight of 254.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]methylidene]azanium is sourced from PubChem (CID 3383603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).