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Home > Fluorides > 1365936-92-0
1365936-92-0 | tert-Butyl N-(3S)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ylcarbamate
CAS No: 1365936-92-0 Catalog No: AG01F40H MDL No:
Product Description
Catalog Number:
AG01F40H
Chemical Name:
tert-Butyl N-(3S)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ylcarbamate
CAS Number:
1365936-92-0
Molecular Formula:
C14H19F3N4O2
Molecular Weight:
332.3215
IUPAC Name:
tert-butyl N-[(3S)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C14H19F3N4O2/c1-13(2,3)23-12(22)20-9-4-5-21(7-9)11-6-10(14(15,16)17)18-8-19-11/h6,8-9H,4-5,7H2,1-3H3,(H,20,22)/t9-/m0/s1
InChI Key:
KZIBDILKNONISF-VIFPVBQESA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCN(C1)c1ncnc(c1)C(F)(F)F
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
332.146g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.327g/mol
Monoisotopic Mass:
332.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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