[5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone

C13H10F3NO2 — CID 116590130

IUPAC[5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESNCc1ccc(C(=O)c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)10-4-2-1-3-9(10)12(18)11-6-5-8(7-17)19-11/h1-6H,7,17H2
InChIKeyDYBNOMLSWAVJND-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.99
Rot. Bonds3

About [5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone

[5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 116590130) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID116590130
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name[5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESNCc1ccc(C(=O)c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)10-4-2-1-3-9(10)12(18)11-6-5-8(7-17)19-11/h1-6H,7,17H2
InChIKeyDYBNOMLSWAVJND-UHFFFAOYSA-N
XLogP2.99
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 116590130) is [5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone is NCc1ccc(C(=O)c2ccccc2C(F)(F)F)o1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is DYBNOMLSWAVJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)10-4-2-1-3-9(10)12(18)11-6-5-8(7-17)19-11/h1-6H,7,17H2.
What are the key properties of [5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone?
[5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 269.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116590130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).