N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline

C13H12F3NO — CID 12032355

IUPACN-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H12F3NO/c1-9-6-7-10(18-9)8-17-12-5-3-2-4-11(12)13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyUOLAKJLTHPCCGK-UHFFFAOYSA-N
MW255.24 g/mol
LogP4.22
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline

N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 12032355) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID12032355
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H12F3NO/c1-9-6-7-10(18-9)8-17-12-5-3-2-4-11(12)13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyUOLAKJLTHPCCGK-UHFFFAOYSA-N
XLogP4.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline (CID 12032355) is N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline is Cc1ccc(CNc2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is UOLAKJLTHPCCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-9-6-7-10(18-9)8-17-12-5-3-2-4-11(12)13(14,15)16/h2-7,17H,8H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline?
N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 255.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 12032355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).