4-[(3-fluorooxolan-3-yl)methyl]aniline

C11H14FNO — CID 84720460

IUPAC4-[(3-fluorooxolan-3-yl)methyl]aniline
SMILESNc1ccc(CC2(F)CCOC2)cc1
InChIInChI=1S/C11H14FNO/c12-11(5-6-14-8-11)7-9-1-3-10(13)4-2-9/h1-4H,5-8,13H2
InChIKeyLSTCNXZXWGCXNG-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.94
Rot. Bonds2

About 4-[(3-fluorooxolan-3-yl)methyl]aniline

4-[(3-fluorooxolan-3-yl)methyl]aniline (PubChem CID 84720460) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-[(3-fluorooxolan-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(3-fluorooxolan-3-yl)methyl]aniline
PubChem CID84720460
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-[(3-fluorooxolan-3-yl)methyl]aniline
SMILESNc1ccc(CC2(F)CCOC2)cc1
InChIInChI=1S/C11H14FNO/c12-11(5-6-14-8-11)7-9-1-3-10(13)4-2-9/h1-4H,5-8,13H2
InChIKeyLSTCNXZXWGCXNG-UHFFFAOYSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorooxolan-3-yl)methyl]aniline?
The IUPAC name of 4-[(3-fluorooxolan-3-yl)methyl]aniline (CID 84720460) is 4-[(3-fluorooxolan-3-yl)methyl]aniline.
What is the SMILES notation for 4-[(3-fluorooxolan-3-yl)methyl]aniline?
The canonical SMILES for 4-[(3-fluorooxolan-3-yl)methyl]aniline is Nc1ccc(CC2(F)CCOC2)cc1.
What is the InChIKey of 4-[(3-fluorooxolan-3-yl)methyl]aniline?
The InChIKey is LSTCNXZXWGCXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-11(5-6-14-8-11)7-9-1-3-10(13)4-2-9/h1-4H,5-8,13H2.
What are the key properties of 4-[(3-fluorooxolan-3-yl)methyl]aniline?
4-[(3-fluorooxolan-3-yl)methyl]aniline has a molecular weight of 195.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorooxolan-3-yl)methyl]aniline is sourced from PubChem (CID 84720460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).