2-[4-(Trifluoromethoxy)phenyl]-4-pentyn-2-ol - CAS 85014-08-0
Catalog: |
BB037404 |
Product Name: |
2-[4-(Trifluoromethoxy)phenyl]-4-pentyn-2-ol |
CAS: |
85014-08-0 |
Synonyms: |
2-[4-(trifluoromethoxy)phenyl]-4-pentyn-2-ol; 2-[4-(trifluoromethoxy)phenyl]pent-4-yn-2-ol |
IUPAC Name: | 2-[4-(trifluoromethoxy)phenyl]pent-4-yn-2-ol |
Description: | 2-[4-(Trifluoromethoxy)phenyl]-4-pentyn-2-ol (CAS# 85014-08-0 ) is a useful research chemical. |
Molecular Weight: | 244.21 |
Molecular Formula: | C12H11F3O2 |
Canonical SMILES: | CC(CC#C)(C1=CC=C(C=C1)OC(F)(F)F)O |
InChI: | InChI=1S/C12H11F3O2/c1-3-8-11(2,16)9-4-6-10(7-5-9)17-12(13,14)15/h1,4-7,16H,8H2,2H3 |
InChI Key: | CWWNGAHKIMGVAH-UHFFFAOYSA-N |
LogP: | 2.81600 |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.07111408 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.07111408 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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