N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine

C12H14FNO — CID 147496972

IUPACN-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine
SMILESC=C(OC)/C(=N\CC)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO/c1-4-14-12(9(2)15-3)10-5-7-11(13)8-6-10/h5-8H,2,4H2,1,3H3/b14-12+
InChIKeyFGQRJXGTOJPCHC-WYMLVPIESA-N
MW207.25 g/mol
LogP2.79
Rot. Bonds4

About N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine

N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine (PubChem CID 147496972) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine
PubChem CID147496972
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC NameN-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine
SMILESC=C(OC)/C(=N\CC)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO/c1-4-14-12(9(2)15-3)10-5-7-11(13)8-6-10/h5-8H,2,4H2,1,3H3/b14-12+
InChIKeyFGQRJXGTOJPCHC-WYMLVPIESA-N
XLogP2.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.79
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine (CID 147496972) is N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine is C=C(OC)/C(=N\CC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine?
The InChIKey is FGQRJXGTOJPCHC-WYMLVPIESA-N. The full InChI is InChI=1S/C12H14FNO/c1-4-14-12(9(2)15-3)10-5-7-11(13)8-6-10/h5-8H,2,4H2,1,3H3/b14-12+.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine?
N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine has a molecular weight of 207.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-2-methoxyprop-2-en-1-imine is sourced from PubChem (CID 147496972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).