N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine

C10H14F3N — CID 126612017

IUPACN-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
SMILESC=C(/C=C(CC)/N=C/CC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-14-9(5-2)7-8(3)10(11,12)13/h6-7H,3-5H2,1-2H3/b9-7+,14-6+
InChIKeyWCNGEZYWOMFMNM-APMNVIHWSA-N
MW205.22 g/mol
LogP3.88
Rot. Bonds4

About N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine

N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine (PubChem CID 126612017) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
PubChem CID126612017
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
SMILESC=C(/C=C(CC)/N=C/CC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-14-9(5-2)7-8(3)10(11,12)13/h6-7H,3-5H2,1-2H3/b9-7+,14-6+
InChIKeyWCNGEZYWOMFMNM-APMNVIHWSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.88
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-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-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 N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine?
The IUPAC name of N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine (CID 126612017) is N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine.
What is the SMILES notation for N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine?
The canonical SMILES for N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine is C=C(/C=C(CC)/N=C/CC)C(F)(F)F.
What is the InChIKey of N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine?
The InChIKey is WCNGEZYWOMFMNM-APMNVIHWSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-6-14-9(5-2)7-8(3)10(11,12)13/h6-7H,3-5H2,1-2H3/b9-7+,14-6+.
What are the key properties of N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine?
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine has a molecular weight of 205.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine is sourced from PubChem (CID 126612017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).