2-(cyclohexylmethyliminomethyl)-4-fluorophenol

C14H18FNO — CID 135912309

IUPAC2-(cyclohexylmethyliminomethyl)-4-fluorophenol
SMILESOc1ccc(F)cc1/C=N/CC1CCCCC1
InChIInChI=1S/C14H18FNO/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11/h6-8,10-11,17H,1-5,9H2/b16-10+
InChIKeyNTVRENARHPBCQC-MHWRWJLKSA-N
MW235.30 g/mol
LogP3.53
Rot. Bonds3

About 2-(cyclohexylmethyliminomethyl)-4-fluorophenol

2-(cyclohexylmethyliminomethyl)-4-fluorophenol (PubChem CID 135912309) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(cyclohexylmethyliminomethyl)-4-fluorophenol.

Molecular Properties

Compound Name2-(cyclohexylmethyliminomethyl)-4-fluorophenol
PubChem CID135912309
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(cyclohexylmethyliminomethyl)-4-fluorophenol
SMILESOc1ccc(F)cc1/C=N/CC1CCCCC1
InChIInChI=1S/C14H18FNO/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11/h6-8,10-11,17H,1-5,9H2/b16-10+
InChIKeyNTVRENARHPBCQC-MHWRWJLKSA-N
XLogP3.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.53
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-(cyclohexylmethyliminomethyl)-4-fluorophenol?
The IUPAC name of 2-(cyclohexylmethyliminomethyl)-4-fluorophenol (CID 135912309) is 2-(cyclohexylmethyliminomethyl)-4-fluorophenol.
What is the SMILES notation for 2-(cyclohexylmethyliminomethyl)-4-fluorophenol?
The canonical SMILES for 2-(cyclohexylmethyliminomethyl)-4-fluorophenol is Oc1ccc(F)cc1/C=N/CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyliminomethyl)-4-fluorophenol?
The InChIKey is NTVRENARHPBCQC-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H18FNO/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11/h6-8,10-11,17H,1-5,9H2/b16-10+.
What are the key properties of 2-(cyclohexylmethyliminomethyl)-4-fluorophenol?
2-(cyclohexylmethyliminomethyl)-4-fluorophenol has a molecular weight of 235.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyliminomethyl)-4-fluorophenol is sourced from PubChem (CID 135912309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).