2-(cyclohexyliminomethyl)-4-fluorophenol

C13H16FNO — CID 135912308

IUPAC2-(cyclohexyliminomethyl)-4-fluorophenol
SMILESOc1ccc(F)cc1/C=N/C1CCCCC1
InChIInChI=1S/C13H16FNO/c14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12/h6-9,12,16H,1-5H2/b15-9+
InChIKeyFUYUMBFFFJMOGA-OQLLNIDSSA-N
MW221.28 g/mol
LogP3.28
Rot. Bonds2

About 2-(cyclohexyliminomethyl)-4-fluorophenol

2-(cyclohexyliminomethyl)-4-fluorophenol (PubChem CID 135912308) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(cyclohexyliminomethyl)-4-fluorophenol.

Molecular Properties

Compound Name2-(cyclohexyliminomethyl)-4-fluorophenol
PubChem CID135912308
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-(cyclohexyliminomethyl)-4-fluorophenol
SMILESOc1ccc(F)cc1/C=N/C1CCCCC1
InChIInChI=1S/C13H16FNO/c14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12/h6-9,12,16H,1-5H2/b15-9+
InChIKeyFUYUMBFFFJMOGA-OQLLNIDSSA-N
XLogP3.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(cyclohexyliminomethyl)-4-fluorophenol?
The IUPAC name of 2-(cyclohexyliminomethyl)-4-fluorophenol (CID 135912308) is 2-(cyclohexyliminomethyl)-4-fluorophenol.
What is the SMILES notation for 2-(cyclohexyliminomethyl)-4-fluorophenol?
The canonical SMILES for 2-(cyclohexyliminomethyl)-4-fluorophenol is Oc1ccc(F)cc1/C=N/C1CCCCC1.
What is the InChIKey of 2-(cyclohexyliminomethyl)-4-fluorophenol?
The InChIKey is FUYUMBFFFJMOGA-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12/h6-9,12,16H,1-5H2/b15-9+.
What are the key properties of 2-(cyclohexyliminomethyl)-4-fluorophenol?
2-(cyclohexyliminomethyl)-4-fluorophenol has a molecular weight of 221.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyliminomethyl)-4-fluorophenol is sourced from PubChem (CID 135912308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).