6,6,6-trifluoro-2-methylidenehexan-1-imine

C7H10F3N — CID 142825126

IUPAC6,6,6-trifluoro-2-methylidenehexan-1-imine
SMILES[H]/N=C/C(=C)CCCC(F)(F)F
InChIInChI=1S/C7H10F3N/c1-6(5-11)3-2-4-7(8,9)10/h5,11H,1-4H2/b11-5+
InChIKeyWLNCWBQDPCLLLH-VZUCSPMQSA-N
MW165.16 g/mol
LogP2.92
Rot. Bonds4

About 6,6,6-trifluoro-2-methylidenehexan-1-imine

6,6,6-trifluoro-2-methylidenehexan-1-imine (PubChem CID 142825126) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methylidenehexan-1-imine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methylidenehexan-1-imine
PubChem CID142825126
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name6,6,6-trifluoro-2-methylidenehexan-1-imine
SMILES[H]/N=C/C(=C)CCCC(F)(F)F
InChIInChI=1S/C7H10F3N/c1-6(5-11)3-2-4-7(8,9)10/h5,11H,1-4H2/b11-5+
InChIKeyWLNCWBQDPCLLLH-VZUCSPMQSA-N
XLogP2.92
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6,6,6-trifluoro-2-methylidenehexan-1-imine 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 6,6,6-trifluoro-2-methylidenehexan-1-imine?
The IUPAC name of 6,6,6-trifluoro-2-methylidenehexan-1-imine (CID 142825126) is 6,6,6-trifluoro-2-methylidenehexan-1-imine.
What is the SMILES notation for 6,6,6-trifluoro-2-methylidenehexan-1-imine?
The canonical SMILES for 6,6,6-trifluoro-2-methylidenehexan-1-imine is [H]/N=C/C(=C)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methylidenehexan-1-imine?
The InChIKey is WLNCWBQDPCLLLH-VZUCSPMQSA-N. The full InChI is InChI=1S/C7H10F3N/c1-6(5-11)3-2-4-7(8,9)10/h5,11H,1-4H2/b11-5+.
What are the key properties of 6,6,6-trifluoro-2-methylidenehexan-1-imine?
6,6,6-trifluoro-2-methylidenehexan-1-imine has a molecular weight of 165.16 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methylidenehexan-1-imine is sourced from PubChem (CID 142825126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).