2,3,5-trifluoro-4-methylhex-2-en-1-imine

C7H10F3N — CID 123562247

IUPAC2,3,5-trifluoro-4-methylhex-2-en-1-imine
SMILES[H]/N=C/C(F)=C(F)C(C)C(C)F
InChIInChI=1S/C7H10F3N/c1-4(5(2)8)7(10)6(9)3-11/h3-5,11H,1-2H3/b7-6?,11-3+
InChIKeyIYIHALRDZOYOQM-SJBUZEATSA-N
MW165.16 g/mol
LogP2.78
Rot. Bonds3

About 2,3,5-trifluoro-4-methylhex-2-en-1-imine

2,3,5-trifluoro-4-methylhex-2-en-1-imine (PubChem CID 123562247) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 2,3,5-trifluoro-4-methylhex-2-en-1-imine.

Molecular Properties

Compound Name2,3,5-trifluoro-4-methylhex-2-en-1-imine
PubChem CID123562247
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name2,3,5-trifluoro-4-methylhex-2-en-1-imine
SMILES[H]/N=C/C(F)=C(F)C(C)C(C)F
InChIInChI=1S/C7H10F3N/c1-4(5(2)8)7(10)6(9)3-11/h3-5,11H,1-2H3/b7-6?,11-3+
InChIKeyIYIHALRDZOYOQM-SJBUZEATSA-N
XLogP2.78
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-4-methylhex-2-en-1-imine?
The IUPAC name of 2,3,5-trifluoro-4-methylhex-2-en-1-imine (CID 123562247) is 2,3,5-trifluoro-4-methylhex-2-en-1-imine.
What is the SMILES notation for 2,3,5-trifluoro-4-methylhex-2-en-1-imine?
The canonical SMILES for 2,3,5-trifluoro-4-methylhex-2-en-1-imine is [H]/N=C/C(F)=C(F)C(C)C(C)F.
What is the InChIKey of 2,3,5-trifluoro-4-methylhex-2-en-1-imine?
The InChIKey is IYIHALRDZOYOQM-SJBUZEATSA-N. The full InChI is InChI=1S/C7H10F3N/c1-4(5(2)8)7(10)6(9)3-11/h3-5,11H,1-2H3/b7-6?,11-3+.
What are the key properties of 2,3,5-trifluoro-4-methylhex-2-en-1-imine?
2,3,5-trifluoro-4-methylhex-2-en-1-imine has a molecular weight of 165.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-4-methylhex-2-en-1-imine is sourced from PubChem (CID 123562247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).