(1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine

C9H14FN — CID 143930968

IUPAC(1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine
SMILESC/C=C\C=C/C(=C/F)NCC
InChIInChI=1S/C9H14FN/c1-3-5-6-7-9(8-10)11-4-2/h3,5-8,11H,4H2,1-2H3/b5-3-,7-6-,9-8-
InChIKeyKHZGCHOLTSOFSQ-DRAGOXMASA-N
MW155.22 g/mol
LogP2.54
Rot. Bonds4

About (1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine

(1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine (PubChem CID 143930968) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine
PubChem CID143930968
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine
SMILESC/C=C\C=C/C(=C/F)NCC
InChIInChI=1S/C9H14FN/c1-3-5-6-7-9(8-10)11-4-2/h3,5-8,11H,4H2,1-2H3/b5-3-,7-6-,9-8-
InChIKeyKHZGCHOLTSOFSQ-DRAGOXMASA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.54
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 (1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine?
The IUPAC name of (1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine (CID 143930968) is (1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine.
What is the SMILES notation for (1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine?
The canonical SMILES for (1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine is C/C=C\C=C/C(=C/F)NCC.
What is the InChIKey of (1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine?
The InChIKey is KHZGCHOLTSOFSQ-DRAGOXMASA-N. The full InChI is InChI=1S/C9H14FN/c1-3-5-6-7-9(8-10)11-4-2/h3,5-8,11H,4H2,1-2H3/b5-3-,7-6-,9-8-.
What are the key properties of (1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine?
(1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine has a molecular weight of 155.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-N-ethyl-1-fluorohepta-1,3,5-trien-2-amine is sourced from PubChem (CID 143930968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).