2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline

C13H17F2NO — CID 115507283

IUPAC2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline
SMILESCC1CCCCC1Oc1cc(F)cc(F)c1N
InChIInChI=1S/C13H17F2NO/c1-8-4-2-3-5-11(8)17-12-7-9(14)6-10(15)13(12)16/h6-8,11H,2-5,16H2,1H3
InChIKeyYIONVINSVXSAMA-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.50
Rot. Bonds2

About 2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline

2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline (PubChem CID 115507283) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline
PubChem CID115507283
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline
SMILESCC1CCCCC1Oc1cc(F)cc(F)c1N
InChIInChI=1S/C13H17F2NO/c1-8-4-2-3-5-11(8)17-12-7-9(14)6-10(15)13(12)16/h6-8,11H,2-5,16H2,1H3
InChIKeyYIONVINSVXSAMA-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline?
The IUPAC name of 2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline (CID 115507283) is 2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline.
What is the SMILES notation for 2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline?
The canonical SMILES for 2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline is CC1CCCCC1Oc1cc(F)cc(F)c1N.
What is the InChIKey of 2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline?
The InChIKey is YIONVINSVXSAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8-4-2-3-5-11(8)17-12-7-9(14)6-10(15)13(12)16/h6-8,11H,2-5,16H2,1H3.
What are the key properties of 2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline?
2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline has a molecular weight of 241.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline is sourced from PubChem (CID 115507283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).