(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine

C9H13F3N2 — CID 126672163

IUPAC(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine
SMILESC/C=C(CC)\N=C(\C=C/N)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-3-7(4-2)14-8(5-6-13)9(10,11)12/h3,5-6H,4,13H2,1-2H3/b6-5-,7-3-,14-8-
InChIKeyCAVLRIGJFHJQNN-BHCSRTSYSA-N
MW206.21 g/mol
LogP2.78
Rot. Bonds3

About (Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine

(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine (PubChem CID 126672163) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine
PubChem CID126672163
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine
SMILESC/C=C(CC)\N=C(\C=C/N)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-3-7(4-2)14-8(5-6-13)9(10,11)12/h3,5-6H,4,13H2,1-2H3/b6-5-,7-3-,14-8-
InChIKeyCAVLRIGJFHJQNN-BHCSRTSYSA-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 (Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-Trifluoro-2-amino-4-(isobutylimino)pent-2-ene
CID 129807353
(Z)-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine
CID 88890689
(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
CID 91208998
(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine
CID 91527004
(Z)-1,1,5,5-tetrafluoro-4-methyliminopent-2-en-2-amine
CID 118408959
(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
CID 123539659
2-[(Z)-4,4-difluorobut-1-enyl]iminobut-3-en-1-amine
CID 132157969
(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 137401028
(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine
CID 138628399
(Z)-2-ethylimino-5-fluorohex-3-en-1-amine
CID 143075712
ethane;(Z)-1,1,1-trifluoro-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 145149525
5,5,5-Trifluoro-4-methyliminopent-2-en-2-amine
CID 148914080

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine?
The IUPAC name of (Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine (CID 126672163) is (Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine.
What is the SMILES notation for (Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine?
The canonical SMILES for (Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine is C/C=C(CC)\N=C(\C=C/N)C(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine?
The InChIKey is CAVLRIGJFHJQNN-BHCSRTSYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-3-7(4-2)14-8(5-6-13)9(10,11)12/h3,5-6H,4,13H2,1-2H3/b6-5-,7-3-,14-8-.
What are the key properties of (Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine?
(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-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 (Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine is sourced from PubChem (CID 126672163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).