MYF-01-37 5mg

CAT: 0628-A22556-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A22556-5Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2416417-65-5

Chemical Information

1-(3-Methyl-3-((3-(trifluoromethyl)phenyl)amino)pyrrolidin-1-yl)prop-2-en-1-one

CAS Number	2416417-65-5
PubChem CID	146567795
IUPAC Name	1-[3-methyl-3-[3-(trifluoromethyl)anilino]pyrrolidin-1-yl]prop-2-en-1-one
Molecular Formula	C15H17F3N2O
Molecular Weight	298.30
XLogP	3.3
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	410

SMILES

CC1(CCN(C1)C(=O)C=C)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H17F3N2O/c1-3-13(21)20-8-7-14(2,10-20)19-12-6-4-5-11(9-12)15(16,17)18/h3-6,9,19H,1,7-8,10H2,2H3

InChIKey

MTBDEVWWJBIUOK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2416417-65-5

CID: 146567795

Formula: C15H17F3N2O

MW: 298.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.30
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	298.12929766
Monoisotopic Mass	298.12929766
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	410
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes