1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone

C7H6F3NO2 — CID 82505041

IUPAC1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone
SMILESNCc1ccc(C(=O)C(F)(F)F)o1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)6(12)5-2-1-4(3-11)13-5/h1-2H,3,11H2
InChIKeyNHBJLPZXZGEQSW-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.48
Rot. Bonds2

About 1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone

1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone (PubChem CID 82505041) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone
PubChem CID82505041
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone
SMILESNCc1ccc(C(=O)C(F)(F)F)o1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)6(12)5-2-1-4(3-11)13-5/h1-2H,3,11H2
InChIKeyNHBJLPZXZGEQSW-UHFFFAOYSA-N
XLogP1.48
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone (CID 82505041) is 1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone is NCc1ccc(C(=O)C(F)(F)F)o1.
What is the InChIKey of 1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone?
The InChIKey is NHBJLPZXZGEQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)6(12)5-2-1-4(3-11)13-5/h1-2H,3,11H2.
What are the key properties of 1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone?
1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone has a molecular weight of 193.12 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 82505041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).