trans-2-(Trifluoromethyl)cyclopropanecarboxylic Acid - CAS 78376-99-5
Catalog: |
BB036158 |
Product Name: |
trans-2-(Trifluoromethyl)cyclopropanecarboxylic Acid |
CAS: |
78376-99-5 |
Synonyms: |
(1R,2R)-2-(trifluoromethyl)-1-cyclopropanecarboxylic acid; (1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid |
IUPAC Name: | (1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid |
Description: | trans-2-(Trifluoromethyl)cyclopropanecarboxylic Acid (CAS# 78376-99-5) is a useful research chemical. |
Molecular Weight: | 154.09 |
Molecular Formula: | C5H5F3O2 |
Canonical SMILES: | C1C(C1C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C5H5F3O2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H,9,10)/t2-,3-/m1/s1 |
InChI Key: | GSNLYQDUCHEFFQ-PWNYCUMCSA-N |
LogP: | 1.26940 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-201925187-A | Heteroaryl compound substituted with pyridinium alkyl decylamine | 20171121 |
US-2019152948-A1 | Sulfone pyridine alkyl amide-substituted heteroaryl compounds | 20171121 |
WO-2019103952-A1 | Sulfone pyridine alkyl amide-substituted heteroaryl compounds | 20171121 |
AU-2018371010-A1 | Sulfone pyridine alkyl amide-substituted heteroaryl compounds | 20171121 |
BR-112020009606-A2 | substituted heteroaryl sulfone pyridine alkyl amides | 20171121 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.02416388 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.02416388 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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