N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine

C13H11F7N2 — CID 166921752

IUPACN-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESC=C(F)/C=C(\CN(C)c1ccc(C(F)(F)F)cn1)C(F)(F)F
InChIInChI=1S/C13H11F7N2/c1-8(14)5-10(13(18,19)20)7-22(2)11-4-3-9(6-21-11)12(15,16)17/h3-6H,1,7H2,2H3/b10-5+
InChIKeyPRKGQABFOYQORT-BJMVGYQFSA-N
MW328.23 g/mol
LogP4.51
Rot. Bonds4

About N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine

N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 166921752) has the molecular formula C13H11F7N2 and a molecular weight of 328.23 g/mol. Its IUPAC name is N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID166921752
Molecular FormulaC13H11F7N2
Molecular Weight328.23 g/mol
Exact Mass328.08
IUPAC NameN-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESC=C(F)/C=C(\CN(C)c1ccc(C(F)(F)F)cn1)C(F)(F)F
InChIInChI=1S/C13H11F7N2/c1-8(14)5-10(13(18,19)20)7-22(2)11-4-3-9(6-21-11)12(15,16)17/h3-6H,1,7H2,2H3/b10-5+
InChIKeyPRKGQABFOYQORT-BJMVGYQFSA-N
XLogP4.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine 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 N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 166921752) is N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine is C=C(F)/C=C(\CN(C)c1ccc(C(F)(F)F)cn1)C(F)(F)F.
What is the InChIKey of N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PRKGQABFOYQORT-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H11F7N2/c1-8(14)5-10(13(18,19)20)7-22(2)11-4-3-9(6-21-11)12(15,16)17/h3-6H,1,7H2,2H3/b10-5+.
What are the key properties of N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 328.23 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-4-fluoro-2-(trifluoromethyl)penta-2,4-dienyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 166921752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).