2-chloro-5-(cyclohexylideneamino)-4-fluorophenol

C12H13ClFNO — CID 19787433

IUPAC2-chloro-5-(cyclohexylideneamino)-4-fluorophenol
SMILESOc1cc(N=C2CCCCC2)c(F)cc1Cl
InChIInChI=1S/C12H13ClFNO/c13-9-6-10(14)11(7-12(9)16)15-8-4-2-1-3-5-8/h6-7,16H,1-5H2
InChIKeyMXUYUWBHHQPPIJ-UHFFFAOYSA-N
MW241.69 g/mol
LogP4.22
Rot. Bonds1

About 2-chloro-5-(cyclohexylideneamino)-4-fluorophenol

2-chloro-5-(cyclohexylideneamino)-4-fluorophenol (PubChem CID 19787433) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 2-chloro-5-(cyclohexylideneamino)-4-fluorophenol.

Molecular Properties

Compound Name2-chloro-5-(cyclohexylideneamino)-4-fluorophenol
PubChem CID19787433
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name2-chloro-5-(cyclohexylideneamino)-4-fluorophenol
SMILESOc1cc(N=C2CCCCC2)c(F)cc1Cl
InChIInChI=1S/C12H13ClFNO/c13-9-6-10(14)11(7-12(9)16)15-8-4-2-1-3-5-8/h6-7,16H,1-5H2
InChIKeyMXUYUWBHHQPPIJ-UHFFFAOYSA-N
XLogP4.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 54.22
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-chloro-5-(cyclohexylideneamino)-4-fluorophenol?
The IUPAC name of 2-chloro-5-(cyclohexylideneamino)-4-fluorophenol (CID 19787433) is 2-chloro-5-(cyclohexylideneamino)-4-fluorophenol.
What is the SMILES notation for 2-chloro-5-(cyclohexylideneamino)-4-fluorophenol?
The canonical SMILES for 2-chloro-5-(cyclohexylideneamino)-4-fluorophenol is Oc1cc(N=C2CCCCC2)c(F)cc1Cl.
What is the InChIKey of 2-chloro-5-(cyclohexylideneamino)-4-fluorophenol?
The InChIKey is MXUYUWBHHQPPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-9-6-10(14)11(7-12(9)16)15-8-4-2-1-3-5-8/h6-7,16H,1-5H2.
What are the key properties of 2-chloro-5-(cyclohexylideneamino)-4-fluorophenol?
2-chloro-5-(cyclohexylideneamino)-4-fluorophenol has a molecular weight of 241.69 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(cyclohexylideneamino)-4-fluorophenol is sourced from PubChem (CID 19787433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).