(Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine

C7H8F3N — CID 143614794

IUPAC(Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine
SMILES[H]/N=C(C(\C=C)=C/C)/C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-5(4-2)6(11)7(8,9)10/h3-4,11H,1H2,2H3/b5-4-,11-6+
InChIKeyYNNCGMLAZRCVFQ-UMEJXRAUSA-N
MW163.14 g/mol
LogP2.70
Rot. Bonds2

About (Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine

(Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine (PubChem CID 143614794) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is (Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine
PubChem CID143614794
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name(Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine
SMILES[H]/N=C(C(\C=C)=C/C)/C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-5(4-2)6(11)7(8,9)10/h3-4,11H,1H2,2H3/b5-4-,11-6+
InChIKeyYNNCGMLAZRCVFQ-UMEJXRAUSA-N
XLogP2.70
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.70
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine?
The IUPAC name of (Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine (CID 143614794) is (Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine.
What is the SMILES notation for (Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine?
The canonical SMILES for (Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine is [H]/N=C(C(\C=C)=C/C)/C(F)(F)F.
What is the InChIKey of (Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine?
The InChIKey is YNNCGMLAZRCVFQ-UMEJXRAUSA-N. The full InChI is InChI=1S/C7H8F3N/c1-3-5(4-2)6(11)7(8,9)10/h3-4,11H,1H2,2H3/b5-4-,11-6+.
What are the key properties of (Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine?
(Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine has a molecular weight of 163.14 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenyl-1,1,1-trifluoropent-3-en-2-imine is sourced from PubChem (CID 143614794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).