(1R,2S)-2-Amino-1-[3,5-bis(trifluoromethyl)phenyl]-1-propanol - CAS 1152029-16-7
Catalog: |
BB003507 |
Product Name: |
(1R,2S)-2-Amino-1-[3,5-bis(trifluoromethyl)phenyl]-1-propanol |
CAS: |
1152029-16-7 |
Synonyms: |
(1R,2S)-2-amino-1-[3,5-bis(trifluoromethyl)phenyl]-1-propanol; (1R,2S)-2-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol |
IUPAC Name: | (1R,2S)-2-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol |
Description: | (1R,2S)-2-Amino-1-[3,5-bis(trifluoromethyl)phenyl]-1-propanol (CAS# 1152029-16-7 ) is a useful research chemical. |
Molecular Weight: | 287.20 |
Molecular Formula: | C11H11F6NO |
Canonical SMILES: | CC(C(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O)N |
InChI: | InChI=1S/C11H11F6NO/c1-5(18)9(19)6-2-7(10(12,13)14)4-8(3-6)11(15,16)17/h2-5,9,19H,18H2,1H3/t5-,9-/m0/s1 |
InChI Key: | DXIHDYCFZWJHIQ-CDUCUWFYSA-N |
LogP: | 3.80510 |
Publication Number | Title | Priority Date |
EP-2943474-B1 | Biaryl- or heterocyclic biaryl-substituted cyclohexene derivative compounds as cetp inhibitors | 20130131 |
US-2015322023-A1 | Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors | 20130131 |
US-2016237046-A9 | Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors | 20130131 |
US-9493430-B2 | Biaryl- or heterocyclic biaryl-substituted cyclohexene derivative compounds as CETP inhibitors | 20130131 |
WO-2014119947-A1 | Biaryl- or heterocyclic biaryl-substituted cyclohexene derivative compounds as cetp inhibitors | 20130131 |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.07448295 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.07448295 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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