(S)-6-Fluoro-1-isopropyl-3,4-dihydronaphthalen-2(1H)-one - CAS 104205-01-8
Catalog: |
BB001355 |
Product Name: |
(S)-6-Fluoro-1-isopropyl-3,4-dihydronaphthalen-2(1H)-one |
CAS: |
104205-01-8 |
Synonyms: |
(1S)-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one; (1S)-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one |
IUPAC Name: | (1S)-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one |
Description: | (S)-6-Fluoro-1-isopropyl-3,4-dihydronaphthalen-2(1H)-one (CAS# 104205-01-8 ) is a useful research chemical. |
Molecular Weight: | 206.26 |
Molecular Formula: | C13H15FO |
Canonical SMILES: | CC(C)C1C(=O)CCC2=C1C=CC(=C2)F |
InChI: | InChI=1S/C13H15FO/c1-8(2)13-11-5-4-10(14)7-9(11)3-6-12(13)15/h4-5,7-8,13H,3,6H2,1-2H3/t13-/m0/s1 |
InChI Key: | DEGWMPOIXJTKLT-ZDUSSCGKSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 3.08060 |
Publication Number | Title | Priority Date |
US-2011237635-A1 | Tetrahydronaphthalene derivatives | 20100302 |
US-5808088-A | Preparation of mibefradil via an acetamide anion | 19970430 |
US-5811556-A | Preparation of mibefradil via a naphthalenylacetic acid | 19970430 |
US-5811557-A | Preparation of mibefradil via an acetonitrile anion | 19970430 |
US-5892055-A | Preparation of mibefradil via an acetamide anion | 19970430 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.11069326 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.11069326 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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