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Home > Fluorides > 209625-78-5
209625-78-5 | Pyrrolidine, 3,4-difluoro-1-octyl-, (3R,4R)-
CAS No: 209625-78-5 Catalog No: AG002KBW MDL No:
Product Description
Catalog Number:
AG002KBW
Chemical Name:
Pyrrolidine, 3,4-difluoro-1-octyl-, (3R,4R)-
CAS Number:
209625-78-5
Molecular Formula:
C12H23F2N
Molecular Weight:
219.3145
IUPAC Name:
(3R,4R)-3,4-difluoro-1-octylpyrrolidine
InChI:
InChI=1S/C12H23F2N/c1-2-3-4-5-6-7-8-15-9-11(13)12(14)10-15/h11-12H,2-10H2,1H3/t11-,12-/m1/s1
InChI Key:
NPSICPWUOAZCNP-VXGBXAGGSA-N
SMILES:
CCCCCCCCN1C[C@H]([C@@H](C1)F)F
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.18g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.32g/mol
Monoisotopic Mass:
219.18g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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