2-[3-(Trifluoromethyl)phenyl]-4-pentyn-2-ol - CAS 85014-17-1
Catalog: |
BB037406 |
Product Name: |
2-[3-(Trifluoromethyl)phenyl]-4-pentyn-2-ol |
CAS: |
85014-17-1 |
Synonyms: |
2-[3-(trifluoromethyl)phenyl]-4-pentyn-2-ol; 2-[3-(trifluoromethyl)phenyl]pent-4-yn-2-ol |
IUPAC Name: | 2-[3-(trifluoromethyl)phenyl]pent-4-yn-2-ol |
Description: | 2-[3-(Trifluoromethyl)phenyl]-4-pentyn-2-ol (CAS# 85014-17-1 ) is a useful research chemical. |
Molecular Weight: | 228.21 |
Molecular Formula: | C12H11F3O |
Canonical SMILES: | CC(CC#C)(C1=CC(=CC=C1)C(F)(F)F)O |
InChI: | InChI=1S/C12H11F3O/c1-3-7-11(2,16)9-5-4-6-10(8-9)12(13,14)15/h1,4-6,8,16H,7H2,2H3 |
InChI Key: | LTKYXOFDKAZRIE-UHFFFAOYSA-N |
LogP: | 2.93620 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.07619946 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.07619946 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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