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81982-50-5 | 1-Butanol, 4,4-difluoro-3-[(phenylmethyl)amino]-
CAS No: 81982-50-5 Catalog No: AG0054UT MDL No:
Product Description
Catalog Number:
AG0054UT
Chemical Name:
1-Butanol, 4,4-difluoro-3-[(phenylmethyl)amino]-
CAS Number:
81982-50-5
Molecular Formula:
C11H15F2NO
Molecular Weight:
215.2397
IUPAC Name:
3-(benzylamino)-4,4-difluorobutan-1-ol
InChI:
InChI=1S/C11H15F2NO/c12-11(13)10(6-7-15)14-8-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2
InChI Key:
SWWFDBXDWSUFEN-UHFFFAOYSA-N
SMILES:
OCCC(C(F)F)NCc1ccccc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.244g/mol
Monoisotopic Mass:
215.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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