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1251008-46-4 | Cyclopenta[c]pyrrole, 4,4-difluorooctahydro-, (3aR,6aS)-rel-
CAS No: 1251008-46-4 Catalog No: AG000N5J MDL No:MFCD12198728
Product Description
Catalog Number:
AG000N5J
Chemical Name:
Cyclopenta[c]pyrrole, 4,4-difluorooctahydro-, (3aR,6aS)-rel-
CAS Number:
1251008-46-4
Molecular Formula:
C7H11F2N
Molecular Weight:
147.1657
MDL Number:
MFCD12198728
IUPAC Name:
(3aR,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
InChI:
InChI=1S/C7H11F2N/c8-7(9)2-1-5-3-10-4-6(5)7/h5-6,10H,1-4H2/t5-,6+/m1/s1
InChI Key:
AXWZHQLOPCLIMR-RITPCOANSA-N
SMILES:
FC1(F)CC[C@H]2[C@@H]1CNC2
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
147.086g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.169g/mol
Monoisotopic Mass:
147.086g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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