N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine

C6H6F3N — CID 142135069

IUPACN-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
SMILESC=C/C=C(\N=C)C(F)(F)F
InChIInChI=1S/C6H6F3N/c1-3-4-5(10-2)6(7,8)9/h3-4H,1-2H2/b5-4-
InChIKeyZAYXHQPSSMWFPO-PLNGDYQASA-N
MW149.11 g/mol
LogP2.32
Rot. Bonds2

About N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine

N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine (PubChem CID 142135069) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
PubChem CID142135069
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC NameN-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
SMILESC=C/C=C(\N=C)C(F)(F)F
InChIInChI=1S/C6H6F3N/c1-3-4-5(10-2)6(7,8)9/h3-4H,1-2H2/b5-4-
InChIKeyZAYXHQPSSMWFPO-PLNGDYQASA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2Z)-1,1,1-trifluoropenta-2,4-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

N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimidoyl iodide
CID 89996575
N-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine
CID 91543701
N-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 143435074
N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 144022164
[(3Z)-5,5,5-trifluoro-4-(methylideneamino)penta-1,3-dien-2-yl]chloranium
CID 144306534
N-[(2Z)-4-chloro-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
CID 144306535
N-[(2Z)-1,1-difluoropenta-2,4-dien-2-yl]methanimine
CID 144753283
N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine
CID 144753304
N-[(2Z,4Z)-6-fluorohexa-2,4-dien-2-yl]methanimine
CID 154674774
N-[(2E,4Z)-3-fluorohexa-2,4-dien-2-yl]methanimine
CID 155095809
N-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]methanimine
CID 156158427
N-[(2Z,4E)-4-fluorohexa-2,4-dien-2-yl]methanimine
CID 164071677

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine (CID 142135069) is N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine is C=C/C=C(\N=C)C(F)(F)F.
What is the InChIKey of N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine?
The InChIKey is ZAYXHQPSSMWFPO-PLNGDYQASA-N. The full InChI is InChI=1S/C6H6F3N/c1-3-4-5(10-2)6(7,8)9/h3-4H,1-2H2/b5-4-.
What are the key properties of N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine?
N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine has a molecular weight of 149.11 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 142135069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).