[5-(trifluoromethyl)furan-2-yl]methanamine

C6H6F3NO — CID 18525918

IUPAC[5-(trifluoromethyl)furan-2-yl]methanamine
SMILESNCc1ccc(C(F)(F)F)o1
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2
InChIKeyMMOMFJIMQXUJMQ-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.76
Rot. Bonds1

About [5-(trifluoromethyl)furan-2-yl]methanamine

[5-(trifluoromethyl)furan-2-yl]methanamine (PubChem CID 18525918) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is [5-(trifluoromethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(trifluoromethyl)furan-2-yl]methanamine
PubChem CID18525918
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name[5-(trifluoromethyl)furan-2-yl]methanamine
SMILESNCc1ccc(C(F)(F)F)o1
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2
InChIKeyMMOMFJIMQXUJMQ-UHFFFAOYSA-N
XLogP1.76
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)furan-2-yl]methanamine?
The IUPAC name of [5-(trifluoromethyl)furan-2-yl]methanamine (CID 18525918) is [5-(trifluoromethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(trifluoromethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(trifluoromethyl)furan-2-yl]methanamine is NCc1ccc(C(F)(F)F)o1.
What is the InChIKey of [5-(trifluoromethyl)furan-2-yl]methanamine?
The InChIKey is MMOMFJIMQXUJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2.
What are the key properties of [5-(trifluoromethyl)furan-2-yl]methanamine?
[5-(trifluoromethyl)furan-2-yl]methanamine has a molecular weight of 165.11 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)furan-2-yl]methanamine is sourced from PubChem (CID 18525918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).