N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline

C23H24F9N — CID 141039561

IUPACN-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline
SMILESCCCCCCCCCN(CC)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C23H24F9N/c1-3-5-6-7-8-9-10-11-33(4-2)23-13(16(26)19(29)21(31)22(23)32)12-14(24)17(27)20(30)18(28)15(12)25/h3-11H2,1-2H3
InChIKeyZIQCZXGFZPSMDA-UHFFFAOYSA-N
MW485.43 g/mol
LogP8.18
Rot. Bonds11

About N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline

N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline (PubChem CID 141039561) has the molecular formula C23H24F9N and a molecular weight of 485.43 g/mol. Its IUPAC name is N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline.

Molecular Properties

Compound NameN-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline
PubChem CID141039561
Molecular FormulaC23H24F9N
Molecular Weight485.43 g/mol
Exact Mass485.18
IUPAC NameN-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline
SMILESCCCCCCCCCN(CC)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C23H24F9N/c1-3-5-6-7-8-9-10-11-33(4-2)23-13(16(26)19(29)21(31)22(23)32)12-14(24)17(27)20(30)18(28)15(12)25/h3-11H2,1-2H3
InChIKeyZIQCZXGFZPSMDA-UHFFFAOYSA-N
XLogP8.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.43
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluoro-N-hexyl-6-(2,3,4,5,6-pentafluorophenyl)-N-propylaniline
CID 141039655
2,3,4,5,6-pentafluoro-N-nonadecyl-N-octadecylaniline
CID 175415242
2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol
CID 61447886
2,3,4,5,6-pentafluoro-N-hexyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
CID 22637765
4-(dibutylamino)-3,5,6-trifluorobenzene-1,2-dicarbonitrile
CID 139814154
N-(fluoromethyl)hexan-1-amine;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
CID 87883012
4-fluoro-N,N-dioctylaniline
CID 91747748
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
boric acid;tetrakis(1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene);tris(2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline)
CID 173225240
3-(diethylamino)-4-[hexyl(methyl)amino]cyclobut-3-ene-1,2-dione
CID 155278362
2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide
CID 91731924
2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide
CID 91732053

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline?
The IUPAC name of N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline (CID 141039561) is N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline.
What is the SMILES notation for N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline?
The canonical SMILES for N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline is CCCCCCCCCN(CC)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline?
The InChIKey is ZIQCZXGFZPSMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F9N/c1-3-5-6-7-8-9-10-11-33(4-2)23-13(16(26)19(29)21(31)22(23)32)12-14(24)17(27)20(30)18(28)15(12)25/h3-11H2,1-2H3.
What are the key properties of N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline?
N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline has a molecular weight of 485.43 g/mol, XLogP of 8.18, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline is sourced from PubChem (CID 141039561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).