[2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine

C7H8F3NO — CID 84656746

IUPAC[2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine
SMILESCc1occ(C(F)(F)F)c1CN
InChIInChI=1S/C7H8F3NO/c1-4-5(2-11)6(3-12-4)7(8,9)10/h3H,2,11H2,1H3
InChIKeyUFRQOGOBWAQVIU-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.07
Rot. Bonds1

About [2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine

[2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine (PubChem CID 84656746) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine
PubChem CID84656746
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name[2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine
SMILESCc1occ(C(F)(F)F)c1CN
InChIInChI=1S/C7H8F3NO/c1-4-5(2-11)6(3-12-4)7(8,9)10/h3H,2,11H2,1H3
InChIKeyUFRQOGOBWAQVIU-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 [2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine?
The IUPAC name of [2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine (CID 84656746) is [2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine?
The canonical SMILES for [2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine is Cc1occ(C(F)(F)F)c1CN.
What is the InChIKey of [2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine?
The InChIKey is UFRQOGOBWAQVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-4-5(2-11)6(3-12-4)7(8,9)10/h3H,2,11H2,1H3.
What are the key properties of [2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine?
[2-methyl-4-(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 [2-methyl-4-(trifluoromethyl)furan-3-yl]methanamine is sourced from PubChem (CID 84656746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).