N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine

C13H16FNO — CID 19962612

IUPACN-(4-fluorophenyl)-4-methoxycyclohexan-1-imine
SMILESCOC1CCC(=Nc2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-5,13H,6-9H2,1H3/b15-12-
InChIKeyDBAPPZYCZBWIAZ-QINSGFPZSA-N
MW221.28 g/mol
LogP3.49
Rot. Bonds2

About N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine

N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine (PubChem CID 19962612) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methoxycyclohexan-1-imine
PubChem CID19962612
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC NameN-(4-fluorophenyl)-4-methoxycyclohexan-1-imine
SMILESCOC1CCC(=Nc2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-5,13H,6-9H2,1H3/b15-12-
InChIKeyDBAPPZYCZBWIAZ-QINSGFPZSA-N
XLogP3.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
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 N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine?
The IUPAC name of N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine (CID 19962612) is N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine.
What is the SMILES notation for N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine?
The canonical SMILES for N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine is COC1CCC(=Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine?
The InChIKey is DBAPPZYCZBWIAZ-QINSGFPZSA-N. The full InChI is InChI=1S/C13H16FNO/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-5,13H,6-9H2,1H3/b15-12-.
What are the key properties of N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine?
N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine has a molecular weight of 221.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methoxycyclohexan-1-imine is sourced from PubChem (CID 19962612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).