4-cyclobutyloxy-3,5-difluoroaniline

C10H11F2NO — CID 62115960

IUPAC4-cyclobutyloxy-3,5-difluoroaniline
SMILESNc1cc(F)c(OC2CCC2)c(F)c1
InChIInChI=1S/C10H11F2NO/c11-8-4-6(13)5-9(12)10(8)14-7-2-1-3-7/h4-5,7H,1-3,13H2
InChIKeyDCWFFDXIFUAFQJ-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.48
Rot. Bonds2

About 4-cyclobutyloxy-3,5-difluoroaniline

4-cyclobutyloxy-3,5-difluoroaniline (PubChem CID 62115960) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 4-cyclobutyloxy-3,5-difluoroaniline.

Molecular Properties

Compound Name4-cyclobutyloxy-3,5-difluoroaniline
PubChem CID62115960
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name4-cyclobutyloxy-3,5-difluoroaniline
SMILESNc1cc(F)c(OC2CCC2)c(F)c1
InChIInChI=1S/C10H11F2NO/c11-8-4-6(13)5-9(12)10(8)14-7-2-1-3-7/h4-5,7H,1-3,13H2
InChIKeyDCWFFDXIFUAFQJ-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.48
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-cyclobutyloxy-3,5-difluoroaniline?
The IUPAC name of 4-cyclobutyloxy-3,5-difluoroaniline (CID 62115960) is 4-cyclobutyloxy-3,5-difluoroaniline.
What is the SMILES notation for 4-cyclobutyloxy-3,5-difluoroaniline?
The canonical SMILES for 4-cyclobutyloxy-3,5-difluoroaniline is Nc1cc(F)c(OC2CCC2)c(F)c1.
What is the InChIKey of 4-cyclobutyloxy-3,5-difluoroaniline?
The InChIKey is DCWFFDXIFUAFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-8-4-6(13)5-9(12)10(8)14-7-2-1-3-7/h4-5,7H,1-3,13H2.
What are the key properties of 4-cyclobutyloxy-3,5-difluoroaniline?
4-cyclobutyloxy-3,5-difluoroaniline has a molecular weight of 199.20 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-3,5-difluoroaniline is sourced from PubChem (CID 62115960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).