2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline

C11H11F5N2 — CID 164785211

IUPAC2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline
SMILESCCC(C)C=NNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2/c1-3-5(2)4-17-18-11-9(15)7(13)6(12)8(14)10(11)16/h4-5,18H,3H2,1-2H3
InChIKeyLROPLOGXPIBEDI-UHFFFAOYSA-N
MW266.21 g/mol
LogP3.83
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline

2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline (PubChem CID 164785211) has the molecular formula C11H11F5N2 and a molecular weight of 266.21 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline
PubChem CID164785211
Molecular FormulaC11H11F5N2
Molecular Weight266.21 g/mol
Exact Mass266.08
IUPAC Name2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline
SMILESCCC(C)C=NNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2/c1-3-5(2)4-17-18-11-9(15)7(13)6(12)8(14)10(11)16/h4-5,18H,3H2,1-2H3
InChIKeyLROPLOGXPIBEDI-UHFFFAOYSA-N
XLogP3.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline (CID 164785211) is 2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline is CCC(C)C=NNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline?
The InChIKey is LROPLOGXPIBEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2/c1-3-5(2)4-17-18-11-9(15)7(13)6(12)8(14)10(11)16/h4-5,18H,3H2,1-2H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline?
2,3,4,5,6-pentafluoro-N-(2-methylbutylideneamino)aniline has a molecular weight of 266.21 g/mol, XLogP of 3.83, 4 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-(2-methylbutylideneamino)aniline is sourced from PubChem (CID 164785211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).