2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile

C13H9F3N2O — CID 11277107

IUPAC2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)oc(N)c1C#N
InChIInChI=1S/C13H9F3N2O/c1-7-10(6-17)12(18)19-11(7)8-2-4-9(5-3-8)13(14,15)16/h2-5H,18H2,1H3
InChIKeyROQFZQQVANSJLH-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.73
Rot. Bonds1

About 2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile

2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile (PubChem CID 11277107) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile
PubChem CID11277107
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)oc(N)c1C#N
InChIInChI=1S/C13H9F3N2O/c1-7-10(6-17)12(18)19-11(7)8-2-4-9(5-3-8)13(14,15)16/h2-5H,18H2,1H3
InChIKeyROQFZQQVANSJLH-UHFFFAOYSA-N
XLogP3.73
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile?
The IUPAC name of 2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile (CID 11277107) is 2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile.
What is the SMILES notation for 2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile?
The canonical SMILES for 2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile is Cc1c(-c2ccc(C(F)(F)F)cc2)oc(N)c1C#N.
What is the InChIKey of 2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile?
The InChIKey is ROQFZQQVANSJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-7-10(6-17)12(18)19-11(7)8-2-4-9(5-3-8)13(14,15)16/h2-5H,18H2,1H3.
What are the key properties of 2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile?
2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile has a molecular weight of 266.22 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbonitrile is sourced from PubChem (CID 11277107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).