4-fluoro-2-(oxan-2-yloxy)aniline

C11H14FNO2 — CID 155295982

IUPAC4-fluoro-2-(oxan-2-yloxy)aniline
SMILESNc1ccc(F)cc1OC1CCCCO1
InChIInChI=1S/C11H14FNO2/c12-8-4-5-9(13)10(7-8)15-11-3-1-2-6-14-11/h4-5,7,11H,1-3,6,13H2
InChIKeyVTAOCFKFRRJFCP-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.31
Rot. Bonds2

About 4-fluoro-2-(oxan-2-yloxy)aniline

4-fluoro-2-(oxan-2-yloxy)aniline (PubChem CID 155295982) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-fluoro-2-(oxan-2-yloxy)aniline.

Molecular Properties

Compound Name4-fluoro-2-(oxan-2-yloxy)aniline
PubChem CID155295982
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-fluoro-2-(oxan-2-yloxy)aniline
SMILESNc1ccc(F)cc1OC1CCCCO1
InChIInChI=1S/C11H14FNO2/c12-8-4-5-9(13)10(7-8)15-11-3-1-2-6-14-11/h4-5,7,11H,1-3,6,13H2
InChIKeyVTAOCFKFRRJFCP-UHFFFAOYSA-N
XLogP2.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
2-(5-fluoro-2-isocyanophenoxy)oxolane
CID 57327305
5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643
2-[2-(2-fluoroethynyl)phenoxy]oxane
CID 139891830
2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline
CID 117095540
2-[[(3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-fluoroaniline
CID 118167573
2-(4-aminocyclohexyl)oxy-4-fluoroaniline
CID 117095536
2-(2-fluoro-5-isocyanophenoxy)oxane
CID 140655223
2-(2,5-dimethylphenoxy)oxane
CID 15305690
[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
CID 25242206
2-(oxan-2-yloxy)-6-(trifluoromethyl)benzenethiol
CID 141392854
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(oxan-2-yloxy)aniline?
The IUPAC name of 4-fluoro-2-(oxan-2-yloxy)aniline (CID 155295982) is 4-fluoro-2-(oxan-2-yloxy)aniline.
What is the SMILES notation for 4-fluoro-2-(oxan-2-yloxy)aniline?
The canonical SMILES for 4-fluoro-2-(oxan-2-yloxy)aniline is Nc1ccc(F)cc1OC1CCCCO1.
What is the InChIKey of 4-fluoro-2-(oxan-2-yloxy)aniline?
The InChIKey is VTAOCFKFRRJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-8-4-5-9(13)10(7-8)15-11-3-1-2-6-14-11/h4-5,7,11H,1-3,6,13H2.
What are the key properties of 4-fluoro-2-(oxan-2-yloxy)aniline?
4-fluoro-2-(oxan-2-yloxy)aniline has a molecular weight of 211.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(oxan-2-yloxy)aniline is sourced from PubChem (CID 155295982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).