N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine

C11H16F3N — CID 143588160

IUPACN-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine
SMILESC=N/C(=C\C(C)/C=C\CCC)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-4-5-6-7-9(2)8-10(15-3)11(12,13)14/h6-9H,3-5H2,1-2H3/b7-6-,10-8-
InChIKeyINWLATCRWINOQI-INZNQPOWSA-N
MW219.25 g/mol
LogP4.13
Rot. Bonds5

About N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine

N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine (PubChem CID 143588160) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine
PubChem CID143588160
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine
SMILESC=N/C(=C\C(C)/C=C\CCC)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-4-5-6-7-9(2)8-10(15-3)11(12,13)14/h6-9H,3-5H2,1-2H3/b7-6-,10-8-
InChIKeyINWLATCRWINOQI-INZNQPOWSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine with MolForge

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

Launch Full Analysis

Related Compounds

ethane;propane;N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimine
CID 143342931
ethane;N-[(2Z)-3-ethyl-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
CID 144191958
N-[(2Z,4Z,6Z)-4-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)octa-2,4,6-trien-2-yl]methanimine
CID 145681440
N-[(2Z,4E)-6,6,6-trifluoro-5-methyl-3-propan-2-ylhexa-2,4-dien-2-yl]methanimine
CID 146214645
N-[(3E,5Z)-2,5-dimethyl-4-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine
CID 146615392
N-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimine
CID 154964914
N-[(5E)-4-methylhepta-2,5-dien-2-yl]methanimine
CID 130183555
N-[(6Z)-2-methyldeca-3,6,9-trien-3-yl]methanimine
CID 135161413
N-(5-ethylocta-2,3,6-trien-2-yl)methanimine
CID 138509603

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine (CID 143588160) is N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine is C=N/C(=C\C(C)/C=C\CCC)C(F)(F)F.
What is the InChIKey of N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine?
The InChIKey is INWLATCRWINOQI-INZNQPOWSA-N. The full InChI is InChI=1S/C11H16F3N/c1-4-5-6-7-9(2)8-10(15-3)11(12,13)14/h6-9H,3-5H2,1-2H3/b7-6-,10-8-.
What are the key properties of N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine?
N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine has a molecular weight of 219.25 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,5Z)-1,1,1-trifluoro-4-methylnona-2,5-dien-2-yl]methanimine is sourced from PubChem (CID 143588160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).