Home Other Building Blocks benzyl N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)carbamate

benzyl N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)carbamate

CAS No.:
1798707-16-0
Catalog Number:
AG01BDNV
Molecular Formula:
C14H18F3NO3
Molecular Weight:
305.2928
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Product Description
Catalog Number:
AG01BDNV
Chemical Name:
benzyl N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)carbamate
CAS Number:
1798707-16-0
Molecular Formula:
C14H18F3NO3
Molecular Weight:
305.2928
MDL Number:
MFCD28064270
IUPAC Name:
benzyl N-(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)
InChI Key:
SESFXBYSHTUGNX-UHFFFAOYSA-N
SMILES:
O=C(NC(C(C(F)(F)F)O)C(C)C)OCc1ccccc1
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.124g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
305.297g/mol
Monoisotopic Mass:
305.124g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties