2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline

C11H8F3NO — CID 62811049

IUPAC2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline
SMILESFc1cc(F)c(F)c(NCc2ccco2)c1
InChIInChI=1S/C11H8F3NO/c12-7-4-9(13)11(14)10(5-7)15-6-8-2-1-3-16-8/h1-5,15H,6H2
InChIKeyVGISSKLSLHZECW-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.31
Rot. Bonds3

About 2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline

2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline (PubChem CID 62811049) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline
PubChem CID62811049
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline
SMILESFc1cc(F)c(F)c(NCc2ccco2)c1
InChIInChI=1S/C11H8F3NO/c12-7-4-9(13)11(14)10(5-7)15-6-8-2-1-3-16-8/h1-5,15H,6H2
InChIKeyVGISSKLSLHZECW-UHFFFAOYSA-N
XLogP3.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine
CID 116735323
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
CID 103589771
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55118690
2,5-dichloro-N-(furan-2-ylmethyl)aniline
CID 18778634
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
CID 43218082
2-[(2,3,5-trifluoroanilino)methyl]furan-3-carboxylic acid
CID 103249632
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
2-[3-fluoro-4-(furan-2-ylmethylamino)phenyl]acetic acid
CID 82296842
N-(furan-2-ylmethyl)-2-methylsulfanylaniline
CID 43683353
2,3-difluoro-4-(furan-2-ylmethylamino)benzoic acid
CID 79837782

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline (CID 62811049) is 2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline is Fc1cc(F)c(F)c(NCc2ccco2)c1.
What is the InChIKey of 2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline?
The InChIKey is VGISSKLSLHZECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c12-7-4-9(13)11(14)10(5-7)15-6-8-2-1-3-16-8/h1-5,15H,6H2.
What are the key properties of 2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline?
2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline has a molecular weight of 227.19 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 62811049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).