3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline

C15H10F4N2 — CID 91757469

IUPAC3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(-n2ccc3cc(F)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F4N2/c16-11-1-2-14-9(5-11)3-4-21(14)13-7-10(15(17,18)19)6-12(20)8-13/h1-8H,20H2
InChIKeyRBQNWQXEJBSNPA-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.37
Rot. Bonds1

About 3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline

3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline (PubChem CID 91757469) has the molecular formula C15H10F4N2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline
PubChem CID91757469
Molecular FormulaC15H10F4N2
Molecular Weight294.25 g/mol
Exact Mass294.08
IUPAC Name3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(-n2ccc3cc(F)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F4N2/c16-11-1-2-14-9(5-11)3-4-21(14)13-7-10(15(17,18)19)6-12(20)8-13/h1-8H,20H2
InChIKeyRBQNWQXEJBSNPA-UHFFFAOYSA-N
XLogP4.37
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.37
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-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline (CID 91757469) is 3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline is Nc1cc(-n2ccc3cc(F)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline?
The InChIKey is RBQNWQXEJBSNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2/c16-11-1-2-14-9(5-11)3-4-21(14)13-7-10(15(17,18)19)6-12(20)8-13/h1-8H,20H2.
What are the key properties of 3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline?
3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline has a molecular weight of 294.25 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoroindol-1-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 91757469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).