Home Carboxys Methyl 5,5-difluoropiperidine-3-carboxylate HCl

Methyl 5,5-difluoropiperidine-3-carboxylate HCl

CAS No.:
1255667-31-2
Catalog Number:
AG00HIBO
Molecular Formula:
C7H11F2NO2
Molecular Weight:
179.1645
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Product Description
Catalog Number:
AG00HIBO
Chemical Name:
Methyl 5,5-difluoropiperidine-3-carboxylate HCl
CAS Number:
1255667-31-2
Molecular Formula:
C7H11F2NO2
Molecular Weight:
179.1645
MDL Number:
MFCD20261414
IUPAC Name:
methyl 5,5-difluoropiperidine-3-carboxylate
InChI:
InChI=1S/C7H11F2NO2/c1-12-6(11)5-2-7(8,9)4-10-3-5/h5,10H,2-4H2,1H3
InChI Key:
VVHLPPLZWIWHPY-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCC(C1)(F)F
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.076g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.167g/mol
Monoisotopic Mass:
179.076g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties