(3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine

C7H12FN — CID 142085304

IUPAC(3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine
SMILESC=C(/C=C(\C)F)NCC
InChIInChI=1S/C7H12FN/c1-4-9-7(3)5-6(2)8/h5,9H,3-4H2,1-2H3/b6-5+
InChIKeyHTZGVDUKSBMYMA-AATRIKPKSA-N
MW129.18 g/mol
LogP1.98
Rot. Bonds3

About (3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine

(3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine (PubChem CID 142085304) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine
PubChem CID142085304
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine
SMILESC=C(/C=C(\C)F)NCC
InChIInChI=1S/C7H12FN/c1-4-9-7(3)5-6(2)8/h5,9H,3-4H2,1-2H3/b6-5+
InChIKeyHTZGVDUKSBMYMA-AATRIKPKSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine (CID 142085304) is (3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine is C=C(/C=C(\C)F)NCC.
What is the InChIKey of (3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine?
The InChIKey is HTZGVDUKSBMYMA-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-9-7(3)5-6(2)8/h5,9H,3-4H2,1-2H3/b6-5+.
What are the key properties of (3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine?
(3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine has a molecular weight of 129.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-4-fluoropenta-1,3-dien-2-amine is sourced from PubChem (CID 142085304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).