tert-butyl N-[2-propanoyl-3,5-bis(trifluoromethyl)phenyl]carbamate

tert-butyl N-[2-propanoyl-3,5-bis(trifluoromethyl)phenyl]carbamate

Formula: C16H17F6NO3

SMILES: CCC(=O)C1=C(NC(=O)OC(C)(C)C)C=C(C=C1C(F)(F)F)C(F)(F)F

IUPAC: tert-butyl N-[2-propanoyl-3,5-bis(trifluoromethyl)phenyl]carbamate

InChI: InChI=1S/C16H17F6NO3/c1-5-11(24)12-9(16(20,21)22)6-8(15(17,18)19)7-10(12)23-13(25)26-14(2,3)4/h6-7H,5H2,1-4H3,(H,23,25)

Composition: C (49.88%), H (4.45%), F (29.58%), N (3.64%), O (12.46%)

Molar Mass: 385.306

Atom Count: 43

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	385.111262389
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RBHUQFDSEKBJPG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.33
Topological Polar Surface Area	55.4
Polarizability	29.67
Ring Count	1
Rotatable Bond Count	7

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C16H17F6NO3		$1,460.00-$3,190.00$1,460.00$3,190.00