2-fluoroethyl(4-iminopent-2-en-2-yl)azanium

C7H14FN2+ — CID 163611569

IUPAC2-fluoroethyl(4-iminopent-2-en-2-yl)azanium
SMILES[H]/N=C(\C)C=C(C)[NH2+]CCF
InChIInChI=1S/C7H13FN2/c1-6(9)5-7(2)10-4-3-8/h5,9-10H,3-4H2,1-2H3/p+1/b7-5?,9-6+
InChIKeyHGJINGGNWAUNRB-MHNMJEMNSA-O
MW145.20 g/mol
LogP0.46
Rot. Bonds4

About 2-fluoroethyl(4-iminopent-2-en-2-yl)azanium

2-fluoroethyl(4-iminopent-2-en-2-yl)azanium (PubChem CID 163611569) has the molecular formula C7H14FN2+ and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-fluoroethyl(4-iminopent-2-en-2-yl)azanium.

Molecular Properties

Compound Name2-fluoroethyl(4-iminopent-2-en-2-yl)azanium
PubChem CID163611569
Molecular FormulaC7H14FN2+
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-fluoroethyl(4-iminopent-2-en-2-yl)azanium
SMILES[H]/N=C(\C)C=C(C)[NH2+]CCF
InChIInChI=1S/C7H13FN2/c1-6(9)5-7(2)10-4-3-8/h5,9-10H,3-4H2,1-2H3/p+1/b7-5?,9-6+
InChIKeyHGJINGGNWAUNRB-MHNMJEMNSA-O
XLogP0.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.46
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 2-fluoroethyl(4-iminopent-2-en-2-yl)azanium?
The IUPAC name of 2-fluoroethyl(4-iminopent-2-en-2-yl)azanium (CID 163611569) is 2-fluoroethyl(4-iminopent-2-en-2-yl)azanium.
What is the SMILES notation for 2-fluoroethyl(4-iminopent-2-en-2-yl)azanium?
The canonical SMILES for 2-fluoroethyl(4-iminopent-2-en-2-yl)azanium is [H]/N=C(\C)C=C(C)[NH2+]CCF.
What is the InChIKey of 2-fluoroethyl(4-iminopent-2-en-2-yl)azanium?
The InChIKey is HGJINGGNWAUNRB-MHNMJEMNSA-O. The full InChI is InChI=1S/C7H13FN2/c1-6(9)5-7(2)10-4-3-8/h5,9-10H,3-4H2,1-2H3/p+1/b7-5?,9-6+.
What are the key properties of 2-fluoroethyl(4-iminopent-2-en-2-yl)azanium?
2-fluoroethyl(4-iminopent-2-en-2-yl)azanium has a molecular weight of 145.20 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl(4-iminopent-2-en-2-yl)azanium is sourced from PubChem (CID 163611569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).