(Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine

C13H15F6N5 — CID 144975812

IUPAC(Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine
SMILES[H]/N=C(/C=C(\N)C1C=CC=C(/C(N)=C/[C@@H](N)C(F)(F)F)N1)C(F)(F)F
InChIInChI=1S/C13H15F6N5/c14-12(15,16)10(22)4-6(20)8-2-1-3-9(24-8)7(21)5-11(23)13(17,18)19/h1-5,8,11,22,24H,20-21,23H2/b6-4-,7-5-,22-10-/t8?,11-/m1/s1
InChIKeyUVJDVBNNKMZJKL-YOGCIKMMSA-N
MW355.29 g/mol
LogP1.56
Rot. Bonds4

About (Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine

(Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine (PubChem CID 144975812) has the molecular formula C13H15F6N5 and a molecular weight of 355.29 g/mol. Its IUPAC name is (Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine
PubChem CID144975812
Molecular FormulaC13H15F6N5
Molecular Weight355.29 g/mol
Exact Mass355.12
IUPAC Name(Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine
SMILES[H]/N=C(/C=C(\N)C1C=CC=C(/C(N)=C/[C@@H](N)C(F)(F)F)N1)C(F)(F)F
InChIInChI=1S/C13H15F6N5/c14-12(15,16)10(22)4-6(20)8-2-1-3-9(24-8)7(21)5-11(23)13(17,18)19/h1-5,8,11,22,24H,20-21,23H2/b6-4-,7-5-,22-10-/t8?,11-/m1/s1
InChIKeyUVJDVBNNKMZJKL-YOGCIKMMSA-N
XLogP1.56
TPSA113.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 51.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine?
The IUPAC name of (Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine (CID 144975812) is (Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine.
What is the SMILES notation for (Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine?
The canonical SMILES for (Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine is [H]/N=C(/C=C(\N)C1C=CC=C(/C(N)=C/[C@@H](N)C(F)(F)F)N1)C(F)(F)F.
What is the InChIKey of (Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine?
The InChIKey is UVJDVBNNKMZJKL-YOGCIKMMSA-N. The full InChI is InChI=1S/C13H15F6N5/c14-12(15,16)10(22)4-6(20)8-2-1-3-9(24-8)7(21)5-11(23)13(17,18)19/h1-5,8,11,22,24H,20-21,23H2/b6-4-,7-5-,22-10-/t8?,11-/m1/s1.
What are the key properties of (Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine?
(Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine has a molecular weight of 355.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-1-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-4,4,4-trifluorobut-1-ene-1,3-diamine is sourced from PubChem (CID 144975812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).