N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine

C7H8F3N — CID 142975743

IUPACN-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
SMILESC=C/C(=C(/C)N=C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-4-6(5(2)11-3)7(8,9)10/h4H,1,3H2,2H3/b6-5+
InChIKeyNUDBXJMOLCXWPL-AATRIKPKSA-N
MW163.14 g/mol
LogP2.71
Rot. Bonds2

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

N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine (PubChem CID 142975743) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
PubChem CID142975743
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC NameN-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
SMILESC=C/C(=C(/C)N=C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-4-6(5(2)11-3)7(8,9)10/h4H,1,3H2,2H3/b6-5+
InChIKeyNUDBXJMOLCXWPL-AATRIKPKSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.71
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-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine
CID 142387946
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
ethane;N-[(2Z)-3-ethyl-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
CID 144191958
ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
CID 144514660
N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
CID 144514661
N-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]methanimine
CID 144830398
N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine
CID 146516028
N-[(3Z,5E)-2,2-difluoro-6-methylocta-3,5-dien-3-yl]methanimine
CID 156395083
N-[(2Z,4Z)-1,1,1-trifluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 161670941
N-[(3Z,5E)-7,7,7-trifluoro-4,6-dimethylhepta-3,5-dien-3-yl]methanimine
CID 163448691

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine (CID 142975743) is N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine is C=C/C(=C(/C)N=C)C(F)(F)F.
What is the InChIKey of N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine?
The InChIKey is NUDBXJMOLCXWPL-AATRIKPKSA-N. The full InChI is InChI=1S/C7H8F3N/c1-4-6(5(2)11-3)7(8,9)10/h4H,1,3H2,2H3/b6-5+.
What are the key properties of N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine?
N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine has a molecular weight of 163.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 142975743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).