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

C7H8F3NO — CID 82599980

IUPAC[3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine
SMILESCc1cc(C(F)(F)F)oc1CN
InChIInChI=1S/C7H8F3NO/c1-4-2-6(7(8,9)10)12-5(4)3-11/h2H,3,11H2,1H3
InChIKeyVYORSPIGDSQQFQ-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.07
Rot. Bonds1

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

[3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine (PubChem CID 82599980) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is [3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine
PubChem CID82599980
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name[3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine
SMILESCc1cc(C(F)(F)F)oc1CN
InChIInChI=1S/C7H8F3NO/c1-4-2-6(7(8,9)10)12-5(4)3-11/h2H,3,11H2,1H3
InChIKeyVYORSPIGDSQQFQ-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 [3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine?
The IUPAC name of [3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine (CID 82599980) is [3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine.
What is the SMILES notation for [3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine?
The canonical SMILES for [3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine is Cc1cc(C(F)(F)F)oc1CN.
What is the InChIKey of [3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine?
The InChIKey is VYORSPIGDSQQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-4-2-6(7(8,9)10)12-5(4)3-11/h2H,3,11H2,1H3.
What are the key properties of [3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine?
[3-methyl-5-(trifluoromethyl)furan-2-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 [3-methyl-5-(trifluoromethyl)furan-2-yl]methanamine is sourced from PubChem (CID 82599980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).