N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline

C12H10F3NO — CID 12032354

IUPACN-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1ccco1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h1-7,16H,8H2
InChIKeyQXDKKBZQPVLKRB-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.91
Rot. Bonds3

About N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline

N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 12032354) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID12032354
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC NameN-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1ccco1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h1-7,16H,8H2
InChIKeyQXDKKBZQPVLKRB-UHFFFAOYSA-N
XLogP3.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline (CID 12032354) is N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is QXDKKBZQPVLKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h1-7,16H,8H2.
What are the key properties of N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline?
N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 241.21 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 12032354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).