(E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine

C7H10F3N — CID 144511164

IUPAC(E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine
SMILESC/N=C/C(C)=C(\C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5(4-11-3)6(2)7(8,9)10/h4H,1-3H3/b6-5+,11-4+
InChIKeyLJBXBYKTDRSPGK-AORIPKDHSA-N
MW165.16 g/mol
LogP2.59
Rot. Bonds1

About (E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine

(E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine (PubChem CID 144511164) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine
PubChem CID144511164
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine
SMILESC/N=C/C(C)=C(\C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5(4-11-3)6(2)7(8,9)10/h4H,1-3H3/b6-5+,11-4+
InChIKeyLJBXBYKTDRSPGK-AORIPKDHSA-N
XLogP2.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.59
H-Bond Donors ≤ 50
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 (E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine?
The IUPAC name of (E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine (CID 144511164) is (E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine.
What is the SMILES notation for (E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine?
The canonical SMILES for (E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine is C/N=C/C(C)=C(\C)C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine?
The InChIKey is LJBXBYKTDRSPGK-AORIPKDHSA-N. The full InChI is InChI=1S/C7H10F3N/c1-5(4-11-3)6(2)7(8,9)10/h4H,1-3H3/b6-5+,11-4+.
What are the key properties of (E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine?
(E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine has a molecular weight of 165.16 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine is sourced from PubChem (CID 144511164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).