(2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine

C13H12F3NO — CID 43384455

IUPAC(2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESCc1cc(C(N)c2c(F)cc(F)cc2F)c(C)o1
InChIInChI=1S/C13H12F3NO/c1-6-3-9(7(2)18-6)13(17)12-10(15)4-8(14)5-11(12)16/h3-5,13H,17H2,1-2H3
InChIKeyAAKHSXBZUOKPMV-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.36
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine

(2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 43384455) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID43384455
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name(2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESCc1cc(C(N)c2c(F)cc(F)cc2F)c(C)o1
InChIInChI=1S/C13H12F3NO/c1-6-3-9(7(2)18-6)13(17)12-10(15)4-8(14)5-11(12)16/h3-5,13H,17H2,1-2H3
InChIKeyAAKHSXBZUOKPMV-UHFFFAOYSA-N
XLogP3.36
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine (CID 43384455) is (2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine is Cc1cc(C(N)c2c(F)cc(F)cc2F)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is AAKHSXBZUOKPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-6-3-9(7(2)18-6)13(17)12-10(15)4-8(14)5-11(12)16/h3-5,13H,17H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine?
(2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 255.24 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 43384455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).