(Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine

C13H18FNO — CID 172981225

IUPAC(Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine
SMILESCCc1ccccc1/C(=N/OC)C(F)CC
InChIInChI=1S/C13H18FNO/c1-4-10-8-6-7-9-11(10)13(15-16-3)12(14)5-2/h6-9,12H,4-5H2,1-3H3/b15-13-
InChIKeyIFGPPVZQYBYGSF-SQFISAMPSA-N
MW223.29 g/mol
LogP3.35
Rot. Bonds5

About (Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine

(Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine (PubChem CID 172981225) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine.

Molecular Properties

Compound Name(Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine
PubChem CID172981225
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine
SMILESCCc1ccccc1/C(=N/OC)C(F)CC
InChIInChI=1S/C13H18FNO/c1-4-10-8-6-7-9-11(10)13(15-16-3)12(14)5-2/h6-9,12H,4-5H2,1-3H3/b15-13-
InChIKeyIFGPPVZQYBYGSF-SQFISAMPSA-N
XLogP3.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
2-methylbutyl 2-ethylbenzoate
CID 175585284
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
(1Z)-1-[2-(chloromethyl)phenyl]-1-methoxyiminopropan-2-one
CID 90868224
methyl (3Z)-3-[2-(chloromethyl)phenyl]-3-methoxyiminopropanoate
CID 143380494
(E)-1-(2-butylphenyl)-N-methoxyethanimine
CID 164678029
2-ethylbenzoic acid;tungsten
CID 23518478
N'-amino-2-ethylbenzenecarboximidamide
CID 54190034
(1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol
CID 134275721
[(2R)-1-amino-1-oxobutan-2-yl] 2-ethylbenzoate
CID 140582334

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine?
The IUPAC name of (Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine (CID 172981225) is (Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine.
What is the SMILES notation for (Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine?
The canonical SMILES for (Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine is CCc1ccccc1/C(=N/OC)C(F)CC.
What is the InChIKey of (Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine?
The InChIKey is IFGPPVZQYBYGSF-SQFISAMPSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-10-8-6-7-9-11(10)13(15-16-3)12(14)5-2/h6-9,12H,4-5H2,1-3H3/b15-13-.
What are the key properties of (Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine?
(Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine has a molecular weight of 223.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-ethylphenyl)-2-fluoro-N-methoxybutan-1-imine is sourced from PubChem (CID 172981225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).