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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Related Compounds

3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol
CID 177319356
(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid
CID 87627186
ethane;3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropan-1-ol
CID 153333983
(3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene
CID 144978960
(3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene
CID 143559913
2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate
CID 160659277
(3Z)-2-chloro-5-propoxyhexa-1,3,5-triene;ethane
CID 145103825
2-fluoroethyl carbonochloridate
CID 10017
ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine
CID 142193447
(E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide
CID 130329420
(3Z)-2-butoxyhexa-1,3,5-triene
CID 142368588
ethene;2-fluoroethyl carbamate;methane;3-methylbutanal
CID 144904465

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).