N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide

C12H16FNO — CID 144539049

IUPACN-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide
SMILESC/C=C(F)/C=C\C(=C/C)NC(=O)C1CC1
InChIInChI=1S/C12H16FNO/c1-3-10(13)7-8-11(4-2)14-12(15)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,14,15)/b8-7-,10-3-,11-4+
InChIKeyZPZIJTMQMXFZMT-GTEZSURSSA-N
MW209.26 g/mol
LogP2.85
Rot. Bonds4

About N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide

N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide (PubChem CID 144539049) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide
PubChem CID144539049
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide
SMILESC/C=C(F)/C=C\C(=C/C)NC(=O)C1CC1
InChIInChI=1S/C12H16FNO/c1-3-10(13)7-8-11(4-2)14-12(15)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,14,15)/b8-7-,10-3-,11-4+
InChIKeyZPZIJTMQMXFZMT-GTEZSURSSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.85
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 N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide (CID 144539049) is N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide is C/C=C(F)/C=C\C(=C/C)NC(=O)C1CC1.
What is the InChIKey of N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide?
The InChIKey is ZPZIJTMQMXFZMT-GTEZSURSSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-10(13)7-8-11(4-2)14-12(15)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,14,15)/b8-7-,10-3-,11-4+.
What are the key properties of N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide?
N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide has a molecular weight of 209.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 144539049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).