4-(cyclobutyloxymethyl)-3-fluoroaniline

C11H14FNO — CID 64768897

IUPAC4-(cyclobutyloxymethyl)-3-fluoroaniline
SMILESNc1ccc(COC2CCC2)c(F)c1
InChIInChI=1S/C11H14FNO/c12-11-6-9(13)5-4-8(11)7-14-10-2-1-3-10/h4-6,10H,1-3,7,13H2
InChIKeyPPKXRFINFJGCJB-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.48
Rot. Bonds3

About 4-(cyclobutyloxymethyl)-3-fluoroaniline

4-(cyclobutyloxymethyl)-3-fluoroaniline (PubChem CID 64768897) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(cyclobutyloxymethyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(cyclobutyloxymethyl)-3-fluoroaniline
PubChem CID64768897
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-(cyclobutyloxymethyl)-3-fluoroaniline
SMILESNc1ccc(COC2CCC2)c(F)c1
InChIInChI=1S/C11H14FNO/c12-11-6-9(13)5-4-8(11)7-14-10-2-1-3-10/h4-6,10H,1-3,7,13H2
InChIKeyPPKXRFINFJGCJB-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 4-(cyclobutyloxymethyl)-3-fluoroaniline?
The IUPAC name of 4-(cyclobutyloxymethyl)-3-fluoroaniline (CID 64768897) is 4-(cyclobutyloxymethyl)-3-fluoroaniline.
What is the SMILES notation for 4-(cyclobutyloxymethyl)-3-fluoroaniline?
The canonical SMILES for 4-(cyclobutyloxymethyl)-3-fluoroaniline is Nc1ccc(COC2CCC2)c(F)c1.
What is the InChIKey of 4-(cyclobutyloxymethyl)-3-fluoroaniline?
The InChIKey is PPKXRFINFJGCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-11-6-9(13)5-4-8(11)7-14-10-2-1-3-10/h4-6,10H,1-3,7,13H2.
What are the key properties of 4-(cyclobutyloxymethyl)-3-fluoroaniline?
4-(cyclobutyloxymethyl)-3-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 4-(cyclobutyloxymethyl)-3-fluoroaniline is sourced from PubChem (CID 64768897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).