N-benzyl-2-fluorocyclohexan-1-imine

C13H16FN — CID 135086496

IUPACN-benzyl-2-fluorocyclohexan-1-imine
SMILESFC1CCCC/C1=N\Cc1ccccc1
InChIInChI=1S/C13H16FN/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2/b15-13+
InChIKeyBVHMRYNPZDFSIU-FYWRMAATSA-N
MW205.28 g/mol
LogP3.54
Rot. Bonds2

About N-benzyl-2-fluorocyclohexan-1-imine

N-benzyl-2-fluorocyclohexan-1-imine (PubChem CID 135086496) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is N-benzyl-2-fluorocyclohexan-1-imine.

Molecular Properties

Compound NameN-benzyl-2-fluorocyclohexan-1-imine
PubChem CID135086496
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC NameN-benzyl-2-fluorocyclohexan-1-imine
SMILESFC1CCCC/C1=N\Cc1ccccc1
InChIInChI=1S/C13H16FN/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2/b15-13+
InChIKeyBVHMRYNPZDFSIU-FYWRMAATSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluorocyclohexan-1-imine?
The IUPAC name of N-benzyl-2-fluorocyclohexan-1-imine (CID 135086496) is N-benzyl-2-fluorocyclohexan-1-imine.
What is the SMILES notation for N-benzyl-2-fluorocyclohexan-1-imine?
The canonical SMILES for N-benzyl-2-fluorocyclohexan-1-imine is FC1CCCC/C1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-2-fluorocyclohexan-1-imine?
The InChIKey is BVHMRYNPZDFSIU-FYWRMAATSA-N. The full InChI is InChI=1S/C13H16FN/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2/b15-13+.
What are the key properties of N-benzyl-2-fluorocyclohexan-1-imine?
N-benzyl-2-fluorocyclohexan-1-imine has a molecular weight of 205.28 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluorocyclohexan-1-imine is sourced from PubChem (CID 135086496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).