Name: Name:(furan-2-ylmethyl)(2,2,2-trifluoroethyl)amine
Brand: Angene
SKU: AG019O0X
Rating: 90 (10 reviews)

(furan-2-ylmethyl)(2,2,2-trifluoroethyl)amine

CAS No.:

852840-61-0

Catalog Number:

AG019O0X

Molecular Formula:

C7H8F3NO

Molecular Weight:

179.1397

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Product Description

Catalog Number:

AG019O0X

Chemical Name:

(furan-2-ylmethyl)(2,2,2-trifluoroethyl)amine

CAS Number:

852840-61-0

Molecular Formula:

C7H8F3NO

Molecular Weight:

179.1397

MDL Number:

MFCD06680128

IUPAC Name:

2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine

InChI:

InChI=1S/C7H8F3NO/c8-7(9,10)5-11-4-6-2-1-3-12-6/h1-3,11H,4-5H2

InChI Key:

XTJFHYAWTNYDNF-UHFFFAOYSA-N

SMILES:

FC(CNCc1ccco1)(F)F

Properties

Complexity:

137

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.142g/mol

Monoisotopic Mass:

179.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

25.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101