Ac-N-m- (CF3) 2-Ph-C-Py

CAT: 0013-GTR19281091-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19281091-01Size:10 mg

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Description

Ac-N-m- (CF3) 2-Ph-C-Py (Compound F31) is an electrophilic fragment that can be utilized in proteomics research.

CAS Number

2943080-26-8

Smiles

O=C (N (C=1C=C (C=C (C1) C (F) (F) F) C (F) (F) F) CC=2C=NC=CC2) C

Molecular Formula

C16H12F6N2O

Molecular Weight

362.28

Notes

For research use only.

Chemical Information

N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide

CAS Number	2943080-26-8
PubChem CID	169989281
IUPAC Name	N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
Molecular Formula	C16H12F6N2O
Molecular Weight	362.27
XLogP	3.5
Topological Polar Surface Area	33.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	443

SMILES

CC(=O)N(CC1=CN=CC=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H12F6N2O/c1-10(25)24(9-11-3-2-4-23-8-11)14-6-12(15(17,18)19)5-13(7-14)16(20,21)22/h2-8H,9H2,1H3

InChIKey

GMHVHRZSMNYSBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2943080-26-8

CID: 169989281

Formula: C16H12F6N2O

MW: 362.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.27
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	362.08538198
Monoisotopic Mass	362.08538198
Topological Polar Surface Area	33.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	443
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-180519	Ac-N-m- (CF3) 2-Ph-C-Py
HY-154801-01	Biotin-PEG3-CONH-Ph-CF3-diazirine
HY-176896	NHS-C2- (C-acid) -N-bis (C-Py-m-acid)
441048-01	AG 490, m-CF3
217456	Indomethacin, 2'-Trifluoromethyl (Indomethacin, 2'-Trifluoromethyl, Indomethacin, 2-CF3, CF3-Indomethacin, CF3-INDO)
T39127	Meso-CF3-BODIPY 2
BLG-T037	Sp-2-CF3-cBIMPS
HY-163235	Phenyl phenylcarbamate-CH-5-methoxypicolinamide-CH-CH-Ph-CF3
sc-227489	Boc-Phe (2-CF3) -OH
sc-398107 AC	M-cadherin (C-8) AC