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

C9H13F3N2 — CID 177356972

IUPAC(E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine
SMILESC/C=C\C(=N/C(N)=C/CC)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-3-5-7(9(10,11)12)14-8(13)6-4-2/h3,5-6H,4,13H2,1-2H3/b5-3-,8-6+,14-7+
InChIKeyILDVINQPLQXWDO-DIRBERQESA-N
MW206.21 g/mol
LogP2.78
Rot. Bonds3

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

(E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine (PubChem CID 177356972) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is (E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine
PubChem CID177356972
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name(E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine
SMILESC/C=C\C(=N/C(N)=C/CC)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-3-5-7(9(10,11)12)14-8(13)6-4-2/h3,5-6H,4,13H2,1-2H3/b5-3-,8-6+,14-7+
InChIKeyILDVINQPLQXWDO-DIRBERQESA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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

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Related Compounds

Copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene
CID 87979812
(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
CID 91208998
(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine
CID 126672163
(Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)pent-3-en-2-imine
CID 131996217
(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
CID 134219972
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine
CID 135140839
(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 137401028
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane
CID 142374868
7-methyl-2-(trifluoromethyl)-4H-azepine
CID 145130421
5,5,5-Trifluoro-4-methyliminopent-2-en-2-amine
CID 148914080
1,1,1-Trifluoro-4-methyliminopent-2-en-2-amine
CID 149047553
(E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine
CID 166907347

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine?
The IUPAC name of (E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine (CID 177356972) is (E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine.
What is the SMILES notation for (E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine?
The canonical SMILES for (E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine is C/C=C\C(=N/C(N)=C/CC)C(F)(F)F.
What is the InChIKey of (E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine?
The InChIKey is ILDVINQPLQXWDO-DIRBERQESA-N. The full InChI is InChI=1S/C9H13F3N2/c1-3-5-7(9(10,11)12)14-8(13)6-4-2/h3,5-6H,4,13H2,1-2H3/b5-3-,8-6+,14-7+.
What are the key properties of (E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine?
(E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine has a molecular weight of 206.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine is sourced from PubChem (CID 177356972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).