3-(furan-3-yl)-5-(trifluoromethyl)aniline

C11H8F3NO — CID 165490108

IUPAC3-(furan-3-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(-c2ccoc2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3NO/c12-11(13,14)9-3-8(4-10(15)5-9)7-1-2-16-6-7/h1-6H,15H2
InChIKeyDFOJAHKBTPZFND-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.55
Rot. Bonds1

About 3-(furan-3-yl)-5-(trifluoromethyl)aniline

3-(furan-3-yl)-5-(trifluoromethyl)aniline (PubChem CID 165490108) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(furan-3-yl)-5-(trifluoromethyl)aniline
PubChem CID165490108
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name3-(furan-3-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(-c2ccoc2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3NO/c12-11(13,14)9-3-8(4-10(15)5-9)7-1-2-16-6-7/h1-6H,15H2
InChIKeyDFOJAHKBTPZFND-UHFFFAOYSA-N
XLogP3.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.55
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 3-(furan-3-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(furan-3-yl)-5-(trifluoromethyl)aniline (CID 165490108) is 3-(furan-3-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(furan-3-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(furan-3-yl)-5-(trifluoromethyl)aniline is Nc1cc(-c2ccoc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(furan-3-yl)-5-(trifluoromethyl)aniline?
The InChIKey is DFOJAHKBTPZFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c12-11(13,14)9-3-8(4-10(15)5-9)7-1-2-16-6-7/h1-6H,15H2.
What are the key properties of 3-(furan-3-yl)-5-(trifluoromethyl)aniline?
3-(furan-3-yl)-5-(trifluoromethyl)aniline has a molecular weight of 227.19 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 165490108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).