2-(cyclobutyloxymethyl)-5-fluoroaniline

C11H14FNO — CID 64768837

IUPAC2-(cyclobutyloxymethyl)-5-fluoroaniline
SMILESNc1cc(F)ccc1COC1CCC1
InChIInChI=1S/C11H14FNO/c12-9-5-4-8(11(13)6-9)7-14-10-2-1-3-10/h4-6,10H,1-3,7,13H2
InChIKeyXTKKVRXCNVOPRH-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.48
Rot. Bonds3

About 2-(cyclobutyloxymethyl)-5-fluoroaniline

2-(cyclobutyloxymethyl)-5-fluoroaniline (PubChem CID 64768837) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(cyclobutyloxymethyl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(cyclobutyloxymethyl)-5-fluoroaniline
PubChem CID64768837
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-(cyclobutyloxymethyl)-5-fluoroaniline
SMILESNc1cc(F)ccc1COC1CCC1
InChIInChI=1S/C11H14FNO/c12-9-5-4-8(11(13)6-9)7-14-10-2-1-3-10/h4-6,10H,1-3,7,13H2
InChIKeyXTKKVRXCNVOPRH-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
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 2-(cyclobutyloxymethyl)-5-fluoroaniline?
The IUPAC name of 2-(cyclobutyloxymethyl)-5-fluoroaniline (CID 64768837) is 2-(cyclobutyloxymethyl)-5-fluoroaniline.
What is the SMILES notation for 2-(cyclobutyloxymethyl)-5-fluoroaniline?
The canonical SMILES for 2-(cyclobutyloxymethyl)-5-fluoroaniline is Nc1cc(F)ccc1COC1CCC1.
What is the InChIKey of 2-(cyclobutyloxymethyl)-5-fluoroaniline?
The InChIKey is XTKKVRXCNVOPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-5-4-8(11(13)6-9)7-14-10-2-1-3-10/h4-6,10H,1-3,7,13H2.
What are the key properties of 2-(cyclobutyloxymethyl)-5-fluoroaniline?
2-(cyclobutyloxymethyl)-5-fluoroaniline has a molecular weight of 195.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutyloxymethyl)-5-fluoroaniline is sourced from PubChem (CID 64768837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).