[4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine

C8H10F3NO — CID 83609856

IUPAC[4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine
SMILESCc1oc(C(F)(F)F)c(CN)c1C
InChIInChI=1S/C8H10F3NO/c1-4-5(2)13-7(6(4)3-12)8(9,10)11/h3,12H2,1-2H3
InChIKeyWUNSVVHNVOKGJZ-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.37
Rot. Bonds1

About [4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine

[4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine (PubChem CID 83609856) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is [4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine
PubChem CID83609856
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name[4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine
SMILESCc1oc(C(F)(F)F)c(CN)c1C
InChIInChI=1S/C8H10F3NO/c1-4-5(2)13-7(6(4)3-12)8(9,10)11/h3,12H2,1-2H3
InChIKeyWUNSVVHNVOKGJZ-UHFFFAOYSA-N
XLogP2.37
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine?
The IUPAC name of [4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine (CID 83609856) is [4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine.
What is the SMILES notation for [4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine?
The canonical SMILES for [4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine is Cc1oc(C(F)(F)F)c(CN)c1C.
What is the InChIKey of [4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine?
The InChIKey is WUNSVVHNVOKGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-4-5(2)13-7(6(4)3-12)8(9,10)11/h3,12H2,1-2H3.
What are the key properties of [4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine?
[4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethyl-2-(trifluoromethyl)furan-3-yl]methanamine is sourced from PubChem (CID 83609856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).