(E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine

C12H14FNO2 — CID 44631676

IUPAC(E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine
SMILESCO/N=C(C)/C(F)=C/c1ccc(OC)cc1
InChIInChI=1S/C12H14FNO2/c1-9(14-16-3)12(13)8-10-4-6-11(15-2)7-5-10/h4-8H,1-3H3/b12-8-,14-9+
InChIKeyKNUSBHNBCNMZDC-WNEGCBGQSA-N
MW223.25 g/mol
LogP3.03
Rot. Bonds4

About (E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine

(E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine (PubChem CID 44631676) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine.

Molecular Properties

Compound Name(E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine
PubChem CID44631676
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine
SMILESCO/N=C(C)/C(F)=C/c1ccc(OC)cc1
InChIInChI=1S/C12H14FNO2/c1-9(14-16-3)12(13)8-10-4-6-11(15-2)7-5-10/h4-8H,1-3H3/b12-8-,14-9+
InChIKeyKNUSBHNBCNMZDC-WNEGCBGQSA-N
XLogP3.03
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Anethole
CID 637563
4-Methylanisole
CID 7731
cis-Anethole
CID 1549040
4-Methoxystyrene
CID 12507
4-Methoxybenzaldehyde Oxime
CID 5371961
1-Methoxy-4-Prop-1-Enylbenzene
CID 7703
cis,trans-4-Methoxycinnamonitrile
CID 1549677
p-(2-Nitropropenyl)anisole
CID 5904442
2-(4-Hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile
CID 346838
Ethanone, 1-(3,4-dimethoxyphenyl)-, oxime, (Z)-
CID 5709027
4-Ethoxybenzaldehyde oxime
CID 6904186
p-Anisaldehyde, oxime, (Z)-
CID 5371924

Frequently Asked Questions

What is the IUPAC name of (E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine?
The IUPAC name of (E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine (CID 44631676) is (E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine.
What is the SMILES notation for (E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine?
The canonical SMILES for (E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine is CO/N=C(C)/C(F)=C/c1ccc(OC)cc1.
What is the InChIKey of (E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine?
The InChIKey is KNUSBHNBCNMZDC-WNEGCBGQSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-9(14-16-3)12(13)8-10-4-6-11(15-2)7-5-10/h4-8H,1-3H3/b12-8-,14-9+.
What are the key properties of (E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine?
(E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine has a molecular weight of 223.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,Z)-3-fluoro-N-methoxy-4-(4-methoxyphenyl)but-3-en-2-imine is sourced from PubChem (CID 44631676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).