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

C10H9F5N2 — CID 148548713

IUPAC2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline
SMILESCC(C)C=NNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5N2/c1-4(2)3-16-17-10-8(14)6(12)5(11)7(13)9(10)15/h3-4,17H,1-2H3
InChIKeyAHBNKLMUXDSBJE-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.44
Rot. Bonds3

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

2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline (PubChem CID 148548713) has the molecular formula C10H9F5N2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline
PubChem CID148548713
Molecular FormulaC10H9F5N2
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline
SMILESCC(C)C=NNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5N2/c1-4(2)3-16-17-10-8(14)6(12)5(11)7(13)9(10)15/h3-4,17H,1-2H3
InChIKeyAHBNKLMUXDSBJE-UHFFFAOYSA-N
XLogP3.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 53.44
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'}

Analyze 2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline (CID 148548713) is 2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline is CC(C)C=NNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline?
The InChIKey is AHBNKLMUXDSBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2/c1-4(2)3-16-17-10-8(14)6(12)5(11)7(13)9(10)15/h3-4,17H,1-2H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline?
2,3,4,5,6-pentafluoro-N-(2-methylpropylideneamino)aniline has a molecular weight of 252.19 g/mol, XLogP of 3.44, 3 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-methylpropylideneamino)aniline is sourced from PubChem (CID 148548713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).