methyl 4-(4-fluorophenyl)butanimidate

C11H14FNO — CID 95437587

IUPACmethyl 4-(4-fluorophenyl)butanimidate
SMILES[H]/N=C(/CCCc1ccc(F)cc1)OC
InChIInChI=1S/C11H14FNO/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8,13H,2-4H2,1H3/b13-11-
InChIKeyMXPANDIQUOEZQI-QBFSEMIESA-N
MW195.24 g/mol
LogP2.77
Rot. Bonds4

About methyl 4-(4-fluorophenyl)butanimidate

methyl 4-(4-fluorophenyl)butanimidate (PubChem CID 95437587) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)butanimidate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)butanimidate
PubChem CID95437587
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Namemethyl 4-(4-fluorophenyl)butanimidate
SMILES[H]/N=C(/CCCc1ccc(F)cc1)OC
InChIInChI=1S/C11H14FNO/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8,13H,2-4H2,1H3/b13-11-
InChIKeyMXPANDIQUOEZQI-QBFSEMIESA-N
XLogP2.77
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-phenylacetimidate hydrochloride
CID 12218775
Methyl 2-phenylethanecarboximidate hydrochloride
CID 12433430
Benzeneethanimidic acid, methyl ester
CID 425538
5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-imine
CID 77519307
Ethyl 2-phenylethanimidoate
CID 408218
Methyl 4-phenylbutanimidate
CID 14924583
Ethyl 4-phenylbutanimidate
CID 15343276
2-Methoxy-1-phenylethan-1-imine
CID 17979406
Methyl-3 phenylpropionimidate hydrochloride
CID 21273004
Methyl 3-phenylpropanimidate
CID 21273005
Ethyl-2-(3-fluorophenyl)acetimidate hydrochloride
CID 89801958
Methyl 2-(4-fluorophenyl)ethanimidate
CID 425537

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)butanimidate?
The IUPAC name of methyl 4-(4-fluorophenyl)butanimidate (CID 95437587) is methyl 4-(4-fluorophenyl)butanimidate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)butanimidate?
The canonical SMILES for methyl 4-(4-fluorophenyl)butanimidate is [H]/N=C(/CCCc1ccc(F)cc1)OC.
What is the InChIKey of methyl 4-(4-fluorophenyl)butanimidate?
The InChIKey is MXPANDIQUOEZQI-QBFSEMIESA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8,13H,2-4H2,1H3/b13-11-.
What are the key properties of methyl 4-(4-fluorophenyl)butanimidate?
methyl 4-(4-fluorophenyl)butanimidate has a molecular weight of 195.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)butanimidate is sourced from PubChem (CID 95437587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).