methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate

C17H24FNO — CID 145339129

IUPACmethyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate
SMILES[H]/N=C(/CC1(c2cc(C)c(F)c(C)c2)CCCCC1)OC
InChIInChI=1S/C17H24FNO/c1-12-9-14(10-13(2)16(12)18)17(11-15(19)20-3)7-5-4-6-8-17/h9-10,19H,4-8,11H2,1-3H3/b19-15-
InChIKeyHHNKRSLHPOAJFX-CYVLTUHYSA-N
MW277.38 g/mol
LogP4.66
Rot. Bonds3

About methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate

methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate (PubChem CID 145339129) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate.

Molecular Properties

Compound Namemethyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate
PubChem CID145339129
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Namemethyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate
SMILES[H]/N=C(/CC1(c2cc(C)c(F)c(C)c2)CCCCC1)OC
InChIInChI=1S/C17H24FNO/c1-12-9-14(10-13(2)16(12)18)17(11-15(19)20-3)7-5-4-6-8-17/h9-10,19H,4-8,11H2,1-3H3/b19-15-
InChIKeyHHNKRSLHPOAJFX-CYVLTUHYSA-N
XLogP4.66
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate?
The IUPAC name of methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate (CID 145339129) is methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate.
What is the SMILES notation for methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate?
The canonical SMILES for methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate is [H]/N=C(/CC1(c2cc(C)c(F)c(C)c2)CCCCC1)OC.
What is the InChIKey of methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate?
The InChIKey is HHNKRSLHPOAJFX-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12-9-14(10-13(2)16(12)18)17(11-15(19)20-3)7-5-4-6-8-17/h9-10,19H,4-8,11H2,1-3H3/b19-15-.
What are the key properties of methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate?
methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate has a molecular weight of 277.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-fluoro-3,5-dimethylphenyl)cyclohexyl]ethanimidate is sourced from PubChem (CID 145339129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).