Home Carboxys tert-Butyl 5-fluoro-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxylate

tert-Butyl 5-fluoro-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxylate

CAS No.:
1824024-07-8
Catalog Number:
AG00I1CT
Molecular Formula:
C12H19F4NO3
Molecular Weight:
301.2778
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Product Description
Catalog Number:
AG00I1CT
Chemical Name:
tert-Butyl 5-fluoro-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxylate
CAS Number:
1824024-07-8
Molecular Formula:
C12H19F4NO3
Molecular Weight:
301.2778
MDL Number:
MFCD28119214
IUPAC Name:
tert-butyl 5-fluoro-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxylate
InChI:
InChI=1S/C12H19F4NO3/c1-10(2,3)20-9(18)17-6-4-8(13)11(19,5-7-17)12(14,15)16/h8,19H,4-7H2,1-3H3
InChI Key:
JDIQWDPFCQVSKR-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C(CC1)(O)C(F)(F)F)F)OC(C)(C)C
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.13g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.282g/mol
Monoisotopic Mass:
301.13g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties