(2E,4E)-3-fluorohepta-2,4-dien-4-amine

C7H12FN — CID 89214767

IUPAC(2E,4E)-3-fluorohepta-2,4-dien-4-amine
SMILESC/C=C(F)\C(N)=C/CC
InChIInChI=1S/C7H12FN/c1-3-5-7(9)6(8)4-2/h4-5H,3,9H2,1-2H3/b6-4+,7-5+
InChIKeyZFMVJGSKNDABHX-YDFGWWAZSA-N
MW129.18 g/mol
LogP2.11
Rot. Bonds2

About (2E,4E)-3-fluorohepta-2,4-dien-4-amine

(2E,4E)-3-fluorohepta-2,4-dien-4-amine (PubChem CID 89214767) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (2E,4E)-3-fluorohepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2E,4E)-3-fluorohepta-2,4-dien-4-amine
PubChem CID89214767
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(2E,4E)-3-fluorohepta-2,4-dien-4-amine
SMILESC/C=C(F)\C(N)=C/CC
InChIInChI=1S/C7H12FN/c1-3-5-7(9)6(8)4-2/h4-5H,3,9H2,1-2H3/b6-4+,7-5+
InChIKeyZFMVJGSKNDABHX-YDFGWWAZSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.11
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 (2E,4E)-3-fluorohepta-2,4-dien-4-amine?
The IUPAC name of (2E,4E)-3-fluorohepta-2,4-dien-4-amine (CID 89214767) is (2E,4E)-3-fluorohepta-2,4-dien-4-amine.
What is the SMILES notation for (2E,4E)-3-fluorohepta-2,4-dien-4-amine?
The canonical SMILES for (2E,4E)-3-fluorohepta-2,4-dien-4-amine is C/C=C(F)\C(N)=C/CC.
What is the InChIKey of (2E,4E)-3-fluorohepta-2,4-dien-4-amine?
The InChIKey is ZFMVJGSKNDABHX-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-5-7(9)6(8)4-2/h4-5H,3,9H2,1-2H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-3-fluorohepta-2,4-dien-4-amine?
(2E,4E)-3-fluorohepta-2,4-dien-4-amine has a molecular weight of 129.18 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-fluorohepta-2,4-dien-4-amine is sourced from PubChem (CID 89214767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).