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Home > Fluorides > 1260804-03-2
1260804-03-2 | Carbamic acid, N-[2,2,2-trifluoro-1-(3-pyrrolidinyl)ethyl]-, phenylmethyl ester
CAS No: 1260804-03-2 Catalog No: AG000RCE MDL No:
Product Description
Catalog Number:
AG000RCE
Chemical Name:
Carbamic acid, N-[2,2,2-trifluoro-1-(3-pyrrolidinyl)ethyl]-, phenylmethyl ester
CAS Number:
1260804-03-2
Molecular Formula:
C14H17F3N2O2
Molecular Weight:
302.2922
IUPAC Name:
benzyl N-(2,2,2-trifluoro-1-pyrrolidin-3-ylethyl)carbamate
InChI:
InChI=1S/C14H17F3N2O2/c15-14(16,17)12(11-6-7-18-8-11)19-13(20)21-9-10-4-2-1-3-5-10/h1-5,11-12,18H,6-9H2,(H,19,20)
InChI Key:
GKSGKNQRGRVJFB-UHFFFAOYSA-N
SMILES:
O=C(NC(C(F)(F)F)C1CNCC1)OCc1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.297g/mol
Monoisotopic Mass:
302.124g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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