3-fluoro-5-(oxolan-3-yloxymethyl)aniline

C11H14FNO2 — CID 112646545

IUPAC3-fluoro-5-(oxolan-3-yloxymethyl)aniline
SMILESNc1cc(F)cc(COC2CCOC2)c1
InChIInChI=1S/C11H14FNO2/c12-9-3-8(4-10(13)5-9)6-15-11-1-2-14-7-11/h3-5,11H,1-2,6-7,13H2
InChIKeyANLHLCZFJQSPAR-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.71
Rot. Bonds3

About 3-fluoro-5-(oxolan-3-yloxymethyl)aniline

3-fluoro-5-(oxolan-3-yloxymethyl)aniline (PubChem CID 112646545) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-fluoro-5-(oxolan-3-yloxymethyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-(oxolan-3-yloxymethyl)aniline
PubChem CID112646545
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-fluoro-5-(oxolan-3-yloxymethyl)aniline
SMILESNc1cc(F)cc(COC2CCOC2)c1
InChIInChI=1S/C11H14FNO2/c12-9-3-8(4-10(13)5-9)6-15-11-1-2-14-7-11/h3-5,11H,1-2,6-7,13H2
InChIKeyANLHLCZFJQSPAR-UHFFFAOYSA-N
XLogP1.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(oxolan-3-yloxymethyl)aniline?
The IUPAC name of 3-fluoro-5-(oxolan-3-yloxymethyl)aniline (CID 112646545) is 3-fluoro-5-(oxolan-3-yloxymethyl)aniline.
What is the SMILES notation for 3-fluoro-5-(oxolan-3-yloxymethyl)aniline?
The canonical SMILES for 3-fluoro-5-(oxolan-3-yloxymethyl)aniline is Nc1cc(F)cc(COC2CCOC2)c1.
What is the InChIKey of 3-fluoro-5-(oxolan-3-yloxymethyl)aniline?
The InChIKey is ANLHLCZFJQSPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-3-8(4-10(13)5-9)6-15-11-1-2-14-7-11/h3-5,11H,1-2,6-7,13H2.
What are the key properties of 3-fluoro-5-(oxolan-3-yloxymethyl)aniline?
3-fluoro-5-(oxolan-3-yloxymethyl)aniline has a molecular weight of 211.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(oxolan-3-yloxymethyl)aniline is sourced from PubChem (CID 112646545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).