(E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine

C10H15F3N2 — CID 166907347

IUPAC(E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine
SMILESC/C=C(\N=C(C)\C(N)=C/C)C(F)(F)CF
InChIInChI=1S/C10H15F3N2/c1-4-8(14)7(3)15-9(5-2)10(12,13)6-11/h4-5H,6,14H2,1-3H3/b8-4+,9-5-,15-7+
InChIKeyZLJASYCNCIZFCY-VBFSJQHPSA-N
MW220.24 g/mol
LogP2.82
Rot. Bonds4

About (E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine

(E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine (PubChem CID 166907347) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is (E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine.

Molecular Properties

Compound Name(E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine
PubChem CID166907347
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name(E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine
SMILESC/C=C(\N=C(C)\C(N)=C/C)C(F)(F)CF
InChIInChI=1S/C10H15F3N2/c1-4-8(14)7(3)15-9(5-2)10(12,13)6-11/h4-5H,6,14H2,1-3H3/b8-4+,9-5-,15-7+
InChIKeyZLJASYCNCIZFCY-VBFSJQHPSA-N
XLogP2.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine?
The IUPAC name of (E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine (CID 166907347) is (E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine.
What is the SMILES notation for (E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine?
The canonical SMILES for (E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine is C/C=C(\N=C(C)\C(N)=C/C)C(F)(F)CF.
What is the InChIKey of (E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine?
The InChIKey is ZLJASYCNCIZFCY-VBFSJQHPSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-4-8(14)7(3)15-9(5-2)10(12,13)6-11/h4-5H,6,14H2,1-3H3/b8-4+,9-5-,15-7+.
What are the key properties of (E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine?
(E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine has a molecular weight of 220.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine is sourced from PubChem (CID 166907347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).