[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine

C7H8F3NO — CID 2779900

IUPAC[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine
SMILESCc1cc(CN)c(C(F)(F)F)o1
InChIInChI=1S/C7H8F3NO/c1-4-2-5(3-11)6(12-4)7(8,9)10/h2H,3,11H2,1H3
InChIKeyROYYYTOVBUUPDX-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.07
Rot. Bonds1

About [5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine

[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine (PubChem CID 2779900) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is [5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine
PubChem CID2779900
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine
SMILESCc1cc(CN)c(C(F)(F)F)o1
InChIInChI=1S/C7H8F3NO/c1-4-2-5(3-11)6(12-4)7(8,9)10/h2H,3,11H2,1H3
InChIKeyROYYYTOVBUUPDX-UHFFFAOYSA-N
XLogP2.07
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine?
The IUPAC name of [5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine (CID 2779900) is [5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine.
What is the SMILES notation for [5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine?
The canonical SMILES for [5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine is Cc1cc(CN)c(C(F)(F)F)o1.
What is the InChIKey of [5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine?
The InChIKey is ROYYYTOVBUUPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-4-2-5(3-11)6(12-4)7(8,9)10/h2H,3,11H2,1H3.
What are the key properties of [5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine?
[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine has a molecular weight of 179.14 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine is sourced from PubChem (CID 2779900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).