Text Search
Structure Search

benzyl N-[(2S,3R)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]carbamate

benzyl N-[(2S,3R)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]carbamate

CAS: 2382269-99-8

Formula: C14H18F3NO3

SMILES: CC(C)[C@@H](NC(=O)OCC1=CC=CC=C1)[C@H](O)C(F)(F)F

IUPAC: benzyl N-[(2S,3R)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]carbamate

InChI: InChI=1S/C14H18F3NO3/c1-9(2)11(12(19)14(15,16)17)18-13(20)21-8-10-6-4-3-5-7-10/h3-7,9,11-12,19H,8H2,1-2H3,(H,18,20)/t11-,12+/m1/s1

Composition: C (55.08%), H (5.94%), F (18.67%), N (4.59%), O (15.72%)

Molar Mass: 305.297

Atom Count: 39

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 305.123877933
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey SESFXBYSHTUGNX-NEPJUHHUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.43
Topological Polar Surface Area 58.56
Polarizability 26.94
Ring Count 1
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
LabNetwork INC
Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 2382269-99-8 $442.26-$1,496.88$442.26$748.44$1,496.88
Request Quote