(Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine

C10H8F5N3 — CID 163705086

IUPAC(Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)c1ccccn1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F5N3/c11-9(12,10(13,14)15)8(17)5-6(16)7-3-1-2-4-18-7/h1-5,17H,16H2/b6-5-,17-8-
InChIKeyKEJSQTMCOMESNZ-WIDSPWPMSA-N
MW265.19 g/mol
LogP2.60
Rot. Bonds3

About (Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine

(Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine (PubChem CID 163705086) has the molecular formula C10H8F5N3 and a molecular weight of 265.19 g/mol. Its IUPAC name is (Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine
PubChem CID163705086
Molecular FormulaC10H8F5N3
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name(Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)c1ccccn1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F5N3/c11-9(12,10(13,14)15)8(17)5-6(16)7-3-1-2-4-18-7/h1-5,17H,16H2/b6-5-,17-8-
InChIKeyKEJSQTMCOMESNZ-WIDSPWPMSA-N
XLogP2.60
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038
pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 161312588
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
(E)-1-amino-4,4-dimethyl-1-pyridin-2-ylpent-1-en-3-one
CID 818325
(Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol
CID 124638933
1-pyridin-2-ylethane-1,2-diimine
CID 174501150
(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine
CID 142933408
(Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine
CID 162584999
butan-1-imine;pyridine-2-carboxamide
CID 143815208
(Z)-1,1,1-trifluoro-4-hydroxy-4-pyridin-2-ylbut-3-en-2-one
CID 6917131
(Z)-2-[amino(ethyl)amino]-1-pyridin-2-ylethenamine
CID 171522165
N'-aminopyridine-2-carboximidamide
CID 5464234

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine?
The IUPAC name of (Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine (CID 163705086) is (Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine.
What is the SMILES notation for (Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine?
The canonical SMILES for (Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine is [H]/N=C(/C=C(\N)c1ccccn1)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine?
The InChIKey is KEJSQTMCOMESNZ-WIDSPWPMSA-N. The full InChI is InChI=1S/C10H8F5N3/c11-9(12,10(13,14)15)8(17)5-6(16)7-3-1-2-4-18-7/h1-5,17H,16H2/b6-5-,17-8-.
What are the key properties of (Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine?
(Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine has a molecular weight of 265.19 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine is sourced from PubChem (CID 163705086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).