2,6-difluoro-3-(5-methylfuran-2-yl)aniline

C11H9F2NO — CID 165455091

IUPAC2,6-difluoro-3-(5-methylfuran-2-yl)aniline
SMILESCc1ccc(-c2ccc(F)c(N)c2F)o1
InChIInChI=1S/C11H9F2NO/c1-6-2-5-9(15-6)7-3-4-8(12)11(14)10(7)13/h2-5H,14H2,1H3
InChIKeyLYZNCBNBGPJIJD-UHFFFAOYSA-N
MW209.19 g/mol
LogP3.12
Rot. Bonds1

About 2,6-difluoro-3-(5-methylfuran-2-yl)aniline

2,6-difluoro-3-(5-methylfuran-2-yl)aniline (PubChem CID 165455091) has the molecular formula C11H9F2NO and a molecular weight of 209.19 g/mol. Its IUPAC name is 2,6-difluoro-3-(5-methylfuran-2-yl)aniline.

Molecular Properties

Compound Name2,6-difluoro-3-(5-methylfuran-2-yl)aniline
PubChem CID165455091
Molecular FormulaC11H9F2NO
Molecular Weight209.19 g/mol
Exact Mass209.07
IUPAC Name2,6-difluoro-3-(5-methylfuran-2-yl)aniline
SMILESCc1ccc(-c2ccc(F)c(N)c2F)o1
InChIInChI=1S/C11H9F2NO/c1-6-2-5-9(15-6)7-3-4-8(12)11(14)10(7)13/h2-5H,14H2,1H3
InChIKeyLYZNCBNBGPJIJD-UHFFFAOYSA-N
XLogP3.12
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 53.12
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 2,6-difluoro-3-(5-methylfuran-2-yl)aniline?
The IUPAC name of 2,6-difluoro-3-(5-methylfuran-2-yl)aniline (CID 165455091) is 2,6-difluoro-3-(5-methylfuran-2-yl)aniline.
What is the SMILES notation for 2,6-difluoro-3-(5-methylfuran-2-yl)aniline?
The canonical SMILES for 2,6-difluoro-3-(5-methylfuran-2-yl)aniline is Cc1ccc(-c2ccc(F)c(N)c2F)o1.
What is the InChIKey of 2,6-difluoro-3-(5-methylfuran-2-yl)aniline?
The InChIKey is LYZNCBNBGPJIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO/c1-6-2-5-9(15-6)7-3-4-8(12)11(14)10(7)13/h2-5H,14H2,1H3.
What are the key properties of 2,6-difluoro-3-(5-methylfuran-2-yl)aniline?
2,6-difluoro-3-(5-methylfuran-2-yl)aniline has a molecular weight of 209.19 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(5-methylfuran-2-yl)aniline is sourced from PubChem (CID 165455091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).