8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine

C11H15F6N — CID 91460499

IUPAC8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine
SMILESCNC(C)C=CC(=CC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6N/c1-7(10(12,13)14)6-9(11(15,16)17)5-4-8(2)18-3/h4-8,18H,1-3H3
InChIKeyNRBHRHPMWUDGDE-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.84
Rot. Bonds4

About 8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine

8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine (PubChem CID 91460499) has the molecular formula C11H15F6N and a molecular weight of 275.24 g/mol. Its IUPAC name is 8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine.

Molecular Properties

Compound Name8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine
PubChem CID91460499
Molecular FormulaC11H15F6N
Molecular Weight275.24 g/mol
Exact Mass275.11
IUPAC Name8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine
SMILESCNC(C)C=CC(=CC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6N/c1-7(10(12,13)14)6-9(11(15,16)17)5-4-8(2)18-3/h4-8,18H,1-3H3
InChIKeyNRBHRHPMWUDGDE-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-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 8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine?
The IUPAC name of 8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine (CID 91460499) is 8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine.
What is the SMILES notation for 8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine?
The canonical SMILES for 8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine is CNC(C)C=CC(=CC(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine?
The InChIKey is NRBHRHPMWUDGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6N/c1-7(10(12,13)14)6-9(11(15,16)17)5-4-8(2)18-3/h4-8,18H,1-3H3.
What are the key properties of 8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine?
8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine has a molecular weight of 275.24 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine is sourced from PubChem (CID 91460499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).