Home Other Building Blocks 1-benzyl-6,6-difluoro-1,4-diazepane

1-benzyl-6,6-difluoro-1,4-diazepane

CAS No.:
1780938-05-7
Catalog Number:
AG01DYWD
Molecular Formula:
C12H16F2N2
Molecular Weight:
226.2656
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Product Description
Catalog Number:
AG01DYWD
Chemical Name:
1-benzyl-6,6-difluoro-1,4-diazepane
CAS Number:
1780938-05-7
Molecular Formula:
C12H16F2N2
Molecular Weight:
226.2656
MDL Number:
MFCD28543947
IUPAC Name:
1-benzyl-6,6-difluoro-1,4-diazepane
InChI:
InChI=1S/C12H16F2N2/c13-12(14)9-15-6-7-16(10-12)8-11-4-2-1-3-5-11/h1-5,15H,6-10H2
InChI Key:
FVURTCJNKYXLTO-UHFFFAOYSA-N
SMILES:
FC1(F)CNCCN(C1)Cc1ccccc1
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.128g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.271g/mol
Monoisotopic Mass:
226.128g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties