4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine

C15H10F6N2O — CID 89282313

IUPAC4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine
SMILESNc1ccc2c(ccn2Cc2ccc(C(F)(F)F)o2)c1C(F)(F)F
InChIInChI=1S/C15H10F6N2O/c16-14(17,18)12-4-1-8(24-12)7-23-6-5-9-11(23)3-2-10(22)13(9)15(19,20)21/h1-6H,7,22H2
InChIKeyCGTUSIXTTUOUBS-UHFFFAOYSA-N
MW348.25 g/mol
LogP4.90
Rot. Bonds2

About 4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine

4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine (PubChem CID 89282313) has the molecular formula C15H10F6N2O and a molecular weight of 348.25 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine
PubChem CID89282313
Molecular FormulaC15H10F6N2O
Molecular Weight348.25 g/mol
Exact Mass348.07
IUPAC Name4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine
SMILESNc1ccc2c(ccn2Cc2ccc(C(F)(F)F)o2)c1C(F)(F)F
InChIInChI=1S/C15H10F6N2O/c16-14(17,18)12-4-1-8(24-12)7-23-6-5-9-11(23)3-2-10(22)13(9)15(19,20)21/h1-6H,7,22H2
InChIKeyCGTUSIXTTUOUBS-UHFFFAOYSA-N
XLogP4.90
TPSA44.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine?
The IUPAC name of 4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine (CID 89282313) is 4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine.
What is the SMILES notation for 4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine?
The canonical SMILES for 4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine is Nc1ccc2c(ccn2Cc2ccc(C(F)(F)F)o2)c1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine?
The InChIKey is CGTUSIXTTUOUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2O/c16-14(17,18)12-4-1-8(24-12)7-23-6-5-9-11(23)3-2-10(22)13(9)15(19,20)21/h1-6H,7,22H2.
What are the key properties of 4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine?
4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine has a molecular weight of 348.25 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-5-amine is sourced from PubChem (CID 89282313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).