1-(4-butoxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea

1-(4-butoxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea

Formula: C16H20F6N2O2

SMILES: CCCCOC1=CC=C(NC(=O)NC(CC)(C(F)(F)F)C(F)(F)F)C=C1

IUPAC: 1-(4-butoxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea

InChI: InChI=1S/C16H20F6N2O2/c1-3-5-10-26-12-8-6-11(7-9-12)23-13(25)24-14(4-2,15(17,18)19)16(20,21)22/h6-9H,3-5,10H2,1-2H3,(H2,23,24,25)

Composition: C (49.74%), H (5.22%), F (29.51%), N (7.25%), O (8.28%)

Molar Mass: 386.338

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	386.14289687
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	UMFAVILLCBEMNW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	84.56
Topological Polar Surface Area	50.36
Polarizability	30.66
Ring Count	1
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H20F6N2O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00