2-fluoro-N,N-dimethoxyaniline

C8H10FNO2 — CID 165177896

IUPAC2-fluoro-N,N-dimethoxyaniline
SMILESCON(OC)c1ccccc1F
InChIInChI=1S/C8H10FNO2/c1-11-10(12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKeyYFCYPATUCXEQJL-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.75
Rot. Bonds3

About 2-fluoro-N,N-dimethoxyaniline

2-fluoro-N,N-dimethoxyaniline (PubChem CID 165177896) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethoxyaniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethoxyaniline
PubChem CID165177896
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name2-fluoro-N,N-dimethoxyaniline
SMILESCON(OC)c1ccccc1F
InChIInChI=1S/C8H10FNO2/c1-11-10(12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKeyYFCYPATUCXEQJL-UHFFFAOYSA-N
XLogP1.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
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CID 107082621
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethoxyaniline?
The IUPAC name of 2-fluoro-N,N-dimethoxyaniline (CID 165177896) is 2-fluoro-N,N-dimethoxyaniline.
What is the SMILES notation for 2-fluoro-N,N-dimethoxyaniline?
The canonical SMILES for 2-fluoro-N,N-dimethoxyaniline is CON(OC)c1ccccc1F.
What is the InChIKey of 2-fluoro-N,N-dimethoxyaniline?
The InChIKey is YFCYPATUCXEQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-11-10(12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3.
What are the key properties of 2-fluoro-N,N-dimethoxyaniline?
2-fluoro-N,N-dimethoxyaniline has a molecular weight of 171.17 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethoxyaniline is sourced from PubChem (CID 165177896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).