2-cyclohexyl-5-fluoroaniline

C12H16FN — CID 19754670

IUPAC2-cyclohexyl-5-fluoroaniline
SMILESNc1cc(F)ccc1C1CCCCC1
InChIInChI=1S/C12H16FN/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h6-9H,1-5,14H2
InChIKeyWMOZSIIYTRKDJK-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.46
Rot. Bonds1

About 2-cyclohexyl-5-fluoroaniline

2-cyclohexyl-5-fluoroaniline (PubChem CID 19754670) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-cyclohexyl-5-fluoroaniline.

Molecular Properties

Compound Name2-cyclohexyl-5-fluoroaniline
PubChem CID19754670
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-cyclohexyl-5-fluoroaniline
SMILESNc1cc(F)ccc1C1CCCCC1
InChIInChI=1S/C12H16FN/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h6-9H,1-5,14H2
InChIKeyWMOZSIIYTRKDJK-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.46
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-cyclohexyl-5-fluoroaniline?
The IUPAC name of 2-cyclohexyl-5-fluoroaniline (CID 19754670) is 2-cyclohexyl-5-fluoroaniline.
What is the SMILES notation for 2-cyclohexyl-5-fluoroaniline?
The canonical SMILES for 2-cyclohexyl-5-fluoroaniline is Nc1cc(F)ccc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-fluoroaniline?
The InChIKey is WMOZSIIYTRKDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h6-9H,1-5,14H2.
What are the key properties of 2-cyclohexyl-5-fluoroaniline?
2-cyclohexyl-5-fluoroaniline has a molecular weight of 193.27 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-fluoroaniline is sourced from PubChem (CID 19754670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).