N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine

C9H12F3N — CID 142387946

IUPACN-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine
SMILESC=C/C(=C(\N=C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-5-7(9(10,11)12)8(13-4)6(2)3/h5-6H,1,4H2,2-3H3/b8-7+
InChIKeyJJNRVRGDPFERAP-BQYQJAHWSA-N
MW191.20 g/mol
LogP3.35
Rot. Bonds3

About N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine

N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine (PubChem CID 142387946) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine
PubChem CID142387946
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC NameN-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine
SMILESC=C/C(=C(\N=C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-5-7(9(10,11)12)8(13-4)6(2)3/h5-6H,1,4H2,2-3H3/b8-7+
InChIKeyJJNRVRGDPFERAP-BQYQJAHWSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.35
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'}

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Related Compounds

N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(1E,3E)-2-(difluoromethyl)-3-fluoro-5-methylhexa-1,3-dienyl]methanimine
CID 137532776
N-[(3Z)-4-fluorohexa-3,5-dien-3-yl]methanimine
CID 139341029
N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 142975743
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143420707
N-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143599195
N-[(3E)-3-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine
CID 144144952

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine (CID 142387946) is N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine is C=C/C(=C(\N=C)C(C)C)C(F)(F)F.
What is the InChIKey of N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine?
The InChIKey is JJNRVRGDPFERAP-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H12F3N/c1-5-7(9(10,11)12)8(13-4)6(2)3/h5-6H,1,4H2,2-3H3/b8-7+.
What are the key properties of N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine?
N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine has a molecular weight of 191.20 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 142387946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).