N-(1,2,2-trifluorohept-4-en-3-yl)methanimine

C8H12F3N — CID 166907275

IUPACN-(1,2,2-trifluorohept-4-en-3-yl)methanimine
SMILESC=NC(C=CCC)C(F)(F)CF
InChIInChI=1S/C8H12F3N/c1-3-4-5-7(12-2)8(10,11)6-9/h4-5,7H,2-3,6H2,1H3
InChIKeyHZXPASXOEZLSAA-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.63
Rot. Bonds5

About N-(1,2,2-trifluorohept-4-en-3-yl)methanimine

N-(1,2,2-trifluorohept-4-en-3-yl)methanimine (PubChem CID 166907275) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is N-(1,2,2-trifluorohept-4-en-3-yl)methanimine.

Molecular Properties

Compound NameN-(1,2,2-trifluorohept-4-en-3-yl)methanimine
PubChem CID166907275
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC NameN-(1,2,2-trifluorohept-4-en-3-yl)methanimine
SMILESC=NC(C=CCC)C(F)(F)CF
InChIInChI=1S/C8H12F3N/c1-3-4-5-7(12-2)8(10,11)6-9/h4-5,7H,2-3,6H2,1H3
InChIKeyHZXPASXOEZLSAA-UHFFFAOYSA-N
XLogP2.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,2-trifluorohept-4-en-3-yl)methanimine?
The IUPAC name of N-(1,2,2-trifluorohept-4-en-3-yl)methanimine (CID 166907275) is N-(1,2,2-trifluorohept-4-en-3-yl)methanimine.
What is the SMILES notation for N-(1,2,2-trifluorohept-4-en-3-yl)methanimine?
The canonical SMILES for N-(1,2,2-trifluorohept-4-en-3-yl)methanimine is C=NC(C=CCC)C(F)(F)CF.
What is the InChIKey of N-(1,2,2-trifluorohept-4-en-3-yl)methanimine?
The InChIKey is HZXPASXOEZLSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-3-4-5-7(12-2)8(10,11)6-9/h4-5,7H,2-3,6H2,1H3.
What are the key properties of N-(1,2,2-trifluorohept-4-en-3-yl)methanimine?
N-(1,2,2-trifluorohept-4-en-3-yl)methanimine has a molecular weight of 179.18 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2-trifluorohept-4-en-3-yl)methanimine is sourced from PubChem (CID 166907275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).