(1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine

C7H10FN — CID 143349316

IUPAC(1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine
SMILESC/C=C\C(F)=C/C=C/N
InChIInChI=1S/C7H10FN/c1-2-4-7(8)5-3-6-9/h2-6H,9H2,1H3/b4-2-,6-3+,7-5+
InChIKeyUAGNZYVDIVWCRK-QFDREYBASA-N
MW127.16 g/mol
LogP1.89
Rot. Bonds2

About (1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine

(1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine (PubChem CID 143349316) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine
PubChem CID143349316
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine
SMILESC/C=C\C(F)=C/C=C/N
InChIInChI=1S/C7H10FN/c1-2-4-7(8)5-3-6-9/h2-6H,9H2,1H3/b4-2-,6-3+,7-5+
InChIKeyUAGNZYVDIVWCRK-QFDREYBASA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.89
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 (1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine (CID 143349316) is (1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine is C/C=C\C(F)=C/C=C/N.
What is the InChIKey of (1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine?
The InChIKey is UAGNZYVDIVWCRK-QFDREYBASA-N. The full InChI is InChI=1S/C7H10FN/c1-2-4-7(8)5-3-6-9/h2-6H,9H2,1H3/b4-2-,6-3+,7-5+.
What are the key properties of (1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine?
(1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine has a molecular weight of 127.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z)-4-fluorohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143349316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).