1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone

C15H18FNO2 — CID 136603576

IUPAC1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone
SMILESO=C(C/N=C/c1ccc(O)c(F)c1)C1CCCCC1
InChIInChI=1S/C15H18FNO2/c16-13-8-11(6-7-14(13)18)9-17-10-15(19)12-4-2-1-3-5-12/h6-9,12,18H,1-5,10H2/b17-9+
InChIKeyXLLSTNGINZAWIY-RQZCQDPDSA-N
MW263.31 g/mol
LogP3.10
Rot. Bonds4

About 1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone

1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone (PubChem CID 136603576) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone
PubChem CID136603576
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone
SMILESO=C(C/N=C/c1ccc(O)c(F)c1)C1CCCCC1
InChIInChI=1S/C15H18FNO2/c16-13-8-11(6-7-14(13)18)9-17-10-15(19)12-4-2-1-3-5-12/h6-9,12,18H,1-5,10H2/b17-9+
InChIKeyXLLSTNGINZAWIY-RQZCQDPDSA-N
XLogP3.10
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone (CID 136603576) is 1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone is O=C(C/N=C/c1ccc(O)c(F)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone?
The InChIKey is XLLSTNGINZAWIY-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-13-8-11(6-7-14(13)18)9-17-10-15(19)12-4-2-1-3-5-12/h6-9,12,18H,1-5,10H2/b17-9+.
What are the key properties of 1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone?
1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone has a molecular weight of 263.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]ethanone is sourced from PubChem (CID 136603576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).