N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine

C7H10FNO — CID 123946741

IUPACN-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine
SMILESC=NC=CC(=C)OCCF
InChIInChI=1S/C7H10FNO/c1-7(3-5-9-2)10-6-4-8/h3,5H,1-2,4,6H2
InChIKeyKVNJUUCNPKXICB-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.70
Rot. Bonds5

About N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine

N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine (PubChem CID 123946741) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine
PubChem CID123946741
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC NameN-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine
SMILESC=NC=CC(=C)OCCF
InChIInChI=1S/C7H10FNO/c1-7(3-5-9-2)10-6-4-8/h3,5H,1-2,4,6H2
InChIKeyKVNJUUCNPKXICB-UHFFFAOYSA-N
XLogP1.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine (CID 123946741) is N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine is C=NC=CC(=C)OCCF.
What is the InChIKey of N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine?
The InChIKey is KVNJUUCNPKXICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-7(3-5-9-2)10-6-4-8/h3,5H,1-2,4,6H2.
What are the key properties of N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine?
N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine has a molecular weight of 143.16 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 123946741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).