2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline

C13H13F5N2 — CID 9466443

IUPAC2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline
SMILESCC1CCC(=NNc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C13H13F5N2/c1-6-2-4-7(5-3-6)19-20-13-11(17)9(15)8(14)10(16)12(13)18/h6,20H,2-5H2,1H3/b19-7-
InChIKeyKANOQUOTABBZNG-GXHLCREISA-N
MW292.25 g/mol
LogP4.36
Rot. Bonds2

About 2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline

2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline (PubChem CID 9466443) has the molecular formula C13H13F5N2 and a molecular weight of 292.25 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline
PubChem CID9466443
Molecular FormulaC13H13F5N2
Molecular Weight292.25 g/mol
Exact Mass292.10
IUPAC Name2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline
SMILESCC1CCC(=NNc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C13H13F5N2/c1-6-2-4-7(5-3-6)19-20-13-11(17)9(15)8(14)10(16)12(13)18/h6,20H,2-5H2,1H3/b19-7-
InChIKeyKANOQUOTABBZNG-GXHLCREISA-N
XLogP4.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Perfluorophenyl)-2-(1-phenylethylidene) hydrazine
CID 297542
2,3,4,5,6-pentafluoro-N-[(E)-1-phenylethylideneamino]aniline
CID 9554633
2,3,4,5,6-pentafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 9615415
2,3,5,6-tetrafluoro-4-methyl-N-(propan-2-ylideneamino)aniline
CID 17844198
1,3,4,5,6,7,8-heptafluoro-N-[(E)-3-methylbutan-2-ylideneamino]naphthalen-2-amine
CID 59422452
2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline
CID 148548713
N-(cyclopropylideneamino)-2,3,4,5,6-pentafluoroaniline
CID 164785204
2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline
CID 164785211
2,3,4,5,6-pentafluoro-N-(4-phenylbut-3-en-2-ylideneamino)aniline
CID 325998
N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline
CID 5051234
2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 5864970
2,3,4,5,6-pentafluoro-N-[(Z)-1-phenylethylideneamino]aniline
CID 5871035

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline (CID 9466443) is 2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline is CC1CCC(=NNc2c(F)c(F)c(F)c(F)c2F)CC1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline?
The InChIKey is KANOQUOTABBZNG-GXHLCREISA-N. The full InChI is InChI=1S/C13H13F5N2/c1-6-2-4-7(5-3-6)19-20-13-11(17)9(15)8(14)10(16)12(13)18/h6,20H,2-5H2,1H3/b19-7-.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline?
2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline has a molecular weight of 292.25 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[(4-methylcyclohexylidene)amino]aniline is sourced from PubChem (CID 9466443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).