4-(cyclobutylmethoxy)-3,5-difluoroaniline

C11H13F2NO — CID 86276903

IUPAC4-(cyclobutylmethoxy)-3,5-difluoroaniline
SMILESNc1cc(F)c(OCC2CCC2)c(F)c1
InChIInChI=1S/C11H13F2NO/c12-9-4-8(14)5-10(13)11(9)15-6-7-2-1-3-7/h4-5,7H,1-3,6,14H2
InChIKeyWKVGKJIDRIJJPY-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.73
Rot. Bonds3

About 4-(cyclobutylmethoxy)-3,5-difluoroaniline

4-(cyclobutylmethoxy)-3,5-difluoroaniline (PubChem CID 86276903) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-3,5-difluoroaniline.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-3,5-difluoroaniline
PubChem CID86276903
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-(cyclobutylmethoxy)-3,5-difluoroaniline
SMILESNc1cc(F)c(OCC2CCC2)c(F)c1
InChIInChI=1S/C11H13F2NO/c12-9-4-8(14)5-10(13)11(9)15-6-7-2-1-3-7/h4-5,7H,1-3,6,14H2
InChIKeyWKVGKJIDRIJJPY-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.73
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 4-(cyclobutylmethoxy)-3,5-difluoroaniline?
The IUPAC name of 4-(cyclobutylmethoxy)-3,5-difluoroaniline (CID 86276903) is 4-(cyclobutylmethoxy)-3,5-difluoroaniline.
What is the SMILES notation for 4-(cyclobutylmethoxy)-3,5-difluoroaniline?
The canonical SMILES for 4-(cyclobutylmethoxy)-3,5-difluoroaniline is Nc1cc(F)c(OCC2CCC2)c(F)c1.
What is the InChIKey of 4-(cyclobutylmethoxy)-3,5-difluoroaniline?
The InChIKey is WKVGKJIDRIJJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-9-4-8(14)5-10(13)11(9)15-6-7-2-1-3-7/h4-5,7H,1-3,6,14H2.
What are the key properties of 4-(cyclobutylmethoxy)-3,5-difluoroaniline?
4-(cyclobutylmethoxy)-3,5-difluoroaniline has a molecular weight of 213.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)-3,5-difluoroaniline is sourced from PubChem (CID 86276903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).