(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine

C9H13F3N2 — CID 91527004

IUPAC(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine
SMILESC/C=C\C(=N\C=C\C(C)N)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-3-4-8(9(10,11)12)14-6-5-7(2)13/h3-7H,13H2,1-2H3/b4-3-,6-5+,14-8-
InChIKeyDMZXUUYNMZCYJU-PQNSOYIDSA-N
MW206.21 g/mol
LogP2.43
Rot. Bonds3

About (E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine

(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine (PubChem CID 91527004) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is (E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine
PubChem CID91527004
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine
SMILESC/C=C\C(=N\C=C\C(C)N)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-3-4-8(9(10,11)12)14-6-5-7(2)13/h3-7H,13H2,1-2H3/b4-3-,6-5+,14-8-
InChIKeyDMZXUUYNMZCYJU-PQNSOYIDSA-N
XLogP2.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.43
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)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine?
The IUPAC name of (E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine (CID 91527004) is (E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine.
What is the SMILES notation for (E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine?
The canonical SMILES for (E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine is C/C=C\C(=N\C=C\C(C)N)C(F)(F)F.
What is the InChIKey of (E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine?
The InChIKey is DMZXUUYNMZCYJU-PQNSOYIDSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-3-4-8(9(10,11)12)14-6-5-7(2)13/h3-7H,13H2,1-2H3/b4-3-,6-5+,14-8-.
What are the key properties of (E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine?
(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine has a molecular weight of 206.21 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine is sourced from PubChem (CID 91527004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).