3-(Trifluoromethyl)cyclobutanol - CAS 1788054-83-0
Catalog: |
BB056992 |
Product Name: |
3-(Trifluoromethyl)cyclobutanol |
CAS: |
1788054-83-0 |
Synonyms: |
3-(Trifluoromethyl)cyclobutan-1-ol; trans-3-(trifluoromethyl)cyclobutanol; 3-(Trifluoromethyl)cyclobutanol |
IUPAC Name: | 3-(trifluoromethyl)cyclobutan-1-ol |
Description: | 3-(Trifluoromethyl)cyclobutanol is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 140.1 |
Molecular Formula: | C5H7OF3 |
Canonical SMILES: | C1C(CC1O)C(F)(F)F |
InChI: | InChI=1S/C5H7F3O/c6-5(7,8)3-1-4(9)2-3/h3-4,9H,1-2H2 |
InChI Key: | XGAGIAQWWXHRJN-UHFFFAOYSA-N |
References: | Backfisch, G., et al. From PCT Int. Appl. (2017), WO 2017050807 A1 20170330; Craig, R. A., et al. From PCT Int. Appl. (2019), WO 2019183589 A1 20190926. |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.04489933 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.04489933 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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