(2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine

C7H12FN — CID 89034223

IUPAC(2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine
SMILESC=C/C=C\CNCCF
InChIInChI=1S/C7H12FN/c1-2-3-4-6-9-7-5-8/h2-4,9H,1,5-7H2/b4-3-
InChIKeyYZXADKNZTMFZDE-ARJAWSKDSA-N
MW129.18 g/mol
LogP1.29
Rot. Bonds5

About (2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine

(2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine (PubChem CID 89034223) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine
PubChem CID89034223
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine
SMILESC=C/C=C\CNCCF
InChIInChI=1S/C7H12FN/c1-2-3-4-6-9-7-5-8/h2-4,9H,1,5-7H2/b4-3-
InChIKeyYZXADKNZTMFZDE-ARJAWSKDSA-N
XLogP1.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine (CID 89034223) is (2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine is C=C/C=C\CNCCF.
What is the InChIKey of (2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine?
The InChIKey is YZXADKNZTMFZDE-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H12FN/c1-2-3-4-6-9-7-5-8/h2-4,9H,1,5-7H2/b4-3-.
What are the key properties of (2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine?
(2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine has a molecular weight of 129.18 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2-fluoroethyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 89034223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).