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

C6H6F3N — CID 91543701

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

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

N-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine (PubChem CID 91543701) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is N-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine.

Molecular Properties

Compound NameN-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine
PubChem CID91543701
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC NameN-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine
SMILESC=CC=C(N=C)C(F)(F)F
InChIInChI=1S/C6H6F3N/c1-3-4-5(10-2)6(7,8)9/h3-4H,1-2H2
InChIKeyZAYXHQPSSMWFPO-UHFFFAOYSA-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-(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-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
CID 142135069
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-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine?
The IUPAC name of N-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine (CID 91543701) is N-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine.
What is the SMILES notation for N-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine?
The canonical SMILES for N-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine is C=CC=C(N=C)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine?
The InChIKey is ZAYXHQPSSMWFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c1-3-4-5(10-2)6(7,8)9/h3-4H,1-2H2.
What are the key properties of N-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine?
N-(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-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine is sourced from PubChem (CID 91543701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).