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

C7H12FN — CID 155152710

IUPAC(3E)-N-ethyl-4-fluoropenta-1,3-dien-3-amine
SMILESC=C/C(NCC)=C(/C)F
InChIInChI=1S/C7H12FN/c1-4-7(6(3)8)9-5-2/h4,9H,1,5H2,2-3H3/b7-6+
InChIKeyRTPFSAVYZFHFER-VOTSOKGWSA-N
MW129.18 g/mol
LogP1.98
Rot. Bonds3

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

(3E)-N-ethyl-4-fluoropenta-1,3-dien-3-amine (PubChem CID 155152710) 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-3-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-4-fluoropenta-1,3-dien-3-amine
PubChem CID155152710
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3E)-N-ethyl-4-fluoropenta-1,3-dien-3-amine
SMILESC=C/C(NCC)=C(/C)F
InChIInChI=1S/C7H12FN/c1-4-7(6(3)8)9-5-2/h4,9H,1,5H2,2-3H3/b7-6+
InChIKeyRTPFSAVYZFHFER-VOTSOKGWSA-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-3-amine?
The IUPAC name of (3E)-N-ethyl-4-fluoropenta-1,3-dien-3-amine (CID 155152710) is (3E)-N-ethyl-4-fluoropenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-N-ethyl-4-fluoropenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-N-ethyl-4-fluoropenta-1,3-dien-3-amine is C=C/C(NCC)=C(/C)F.
What is the InChIKey of (3E)-N-ethyl-4-fluoropenta-1,3-dien-3-amine?
The InChIKey is RTPFSAVYZFHFER-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-7(6(3)8)9-5-2/h4,9H,1,5H2,2-3H3/b7-6+.
What are the key properties of (3E)-N-ethyl-4-fluoropenta-1,3-dien-3-amine?
(3E)-N-ethyl-4-fluoropenta-1,3-dien-3-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-3-amine is sourced from PubChem (CID 155152710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).