4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline

C12H9ClF3NO — CID 63204485

IUPAC4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2ccoc2)ccc1Cl
InChIInChI=1S/C12H9ClF3NO/c13-11-2-1-9(5-10(11)12(14,15)16)17-6-8-3-4-18-7-8/h1-5,7,17H,6H2
InChIKeyFAEDBCWKFCNSIM-UHFFFAOYSA-N
MW275.66 g/mol
LogP4.56
Rot. Bonds3

About 4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline

4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 63204485) has the molecular formula C12H9ClF3NO and a molecular weight of 275.66 g/mol. Its IUPAC name is 4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline
PubChem CID63204485
Molecular FormulaC12H9ClF3NO
Molecular Weight275.66 g/mol
Exact Mass275.03
IUPAC Name4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2ccoc2)ccc1Cl
InChIInChI=1S/C12H9ClF3NO/c13-11-2-1-9(5-10(11)12(14,15)16)17-6-8-3-4-18-7-8/h1-5,7,17H,6H2
InChIKeyFAEDBCWKFCNSIM-UHFFFAOYSA-N
XLogP4.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline 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 4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline (CID 63204485) is 4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(NCc2ccoc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is FAEDBCWKFCNSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO/c13-11-2-1-9(5-10(11)12(14,15)16)17-6-8-3-4-18-7-8/h1-5,7,17H,6H2.
What are the key properties of 4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline?
4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 275.66 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 63204485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).