2-(cyclohexylidenemethyl)-6-fluoroaniline

C13H16FN — CID 174342887

IUPAC2-(cyclohexylidenemethyl)-6-fluoroaniline
SMILESNc1c(F)cccc1C=C1CCCCC1
InChIInChI=1S/C13H16FN/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10/h4,7-9H,1-3,5-6,15H2
InChIKeyNRGKOPPXESHSKB-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.76
Rot. Bonds1

About 2-(cyclohexylidenemethyl)-6-fluoroaniline

2-(cyclohexylidenemethyl)-6-fluoroaniline (PubChem CID 174342887) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(cyclohexylidenemethyl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(cyclohexylidenemethyl)-6-fluoroaniline
PubChem CID174342887
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name2-(cyclohexylidenemethyl)-6-fluoroaniline
SMILESNc1c(F)cccc1C=C1CCCCC1
InChIInChI=1S/C13H16FN/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10/h4,7-9H,1-3,5-6,15H2
InChIKeyNRGKOPPXESHSKB-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethyl)-6-fluoroaniline?
The IUPAC name of 2-(cyclohexylidenemethyl)-6-fluoroaniline (CID 174342887) is 2-(cyclohexylidenemethyl)-6-fluoroaniline.
What is the SMILES notation for 2-(cyclohexylidenemethyl)-6-fluoroaniline?
The canonical SMILES for 2-(cyclohexylidenemethyl)-6-fluoroaniline is Nc1c(F)cccc1C=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethyl)-6-fluoroaniline?
The InChIKey is NRGKOPPXESHSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10/h4,7-9H,1-3,5-6,15H2.
What are the key properties of 2-(cyclohexylidenemethyl)-6-fluoroaniline?
2-(cyclohexylidenemethyl)-6-fluoroaniline has a molecular weight of 205.28 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethyl)-6-fluoroaniline is sourced from PubChem (CID 174342887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).