1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine

C7H8F3N — CID 143548563

IUPAC1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
SMILESC=C/C(=N\C(=C)C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-4-6(7(8,9)10)11-5(2)3/h4H,1-2H2,3H3/b11-6+
InChIKeyKFQHHFRFKDSLMQ-IZZDOVSWSA-N
MW163.14 g/mol
LogP2.71
Rot. Bonds2

About 1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine

1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine (PubChem CID 143548563) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
PubChem CID143548563
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
SMILESC=C/C(=N\C(=C)C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-4-6(7(8,9)10)11-5(2)3/h4H,1-2H2,3H3/b11-6+
InChIKeyKFQHHFRFKDSLMQ-IZZDOVSWSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine (CID 143548563) is 1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine is C=C/C(=N\C(=C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
The InChIKey is KFQHHFRFKDSLMQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C7H8F3N/c1-4-6(7(8,9)10)11-5(2)3/h4H,1-2H2,3H3/b11-6+.
What are the key properties of 1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine 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 1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine is sourced from PubChem (CID 143548563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).