[(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium

C5H8F3N2+ — CID 145347303

IUPAC[(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium
SMILESCC(=[NH2+])/C=C(\N)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-3(9)2-4(10)5(6,7)8/h2,9H,10H2,1H3/p+1/b4-2-,9-3?
InChIKeyNOTGUFNPRKWNBT-UPMVQODRSA-O
MW153.13 g/mol
LogP-0.39
Rot. Bonds1

About [(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium

[(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium (PubChem CID 145347303) has the molecular formula C5H8F3N2+ and a molecular weight of 153.13 g/mol. Its IUPAC name is [(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium.

Molecular Properties

Compound Name[(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium
PubChem CID145347303
Molecular FormulaC5H8F3N2+
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name[(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium
SMILESCC(=[NH2+])/C=C(\N)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-3(9)2-4(10)5(6,7)8/h2,9H,10H2,1H3/p+1/b4-2-,9-3?
InChIKeyNOTGUFNPRKWNBT-UPMVQODRSA-O
XLogP-0.39
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 [(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium?
The IUPAC name of [(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium (CID 145347303) is [(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium.
What is the SMILES notation for [(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium?
The canonical SMILES for [(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium is CC(=[NH2+])/C=C(\N)C(F)(F)F.
What is the InChIKey of [(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium?
The InChIKey is NOTGUFNPRKWNBT-UPMVQODRSA-O. The full InChI is InChI=1S/C5H7F3N2/c1-3(9)2-4(10)5(6,7)8/h2,9H,10H2,1H3/p+1/b4-2-,9-3?.
What are the key properties of [(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium?
[(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium has a molecular weight of 153.13 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium is sourced from PubChem (CID 145347303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).