3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic Acid - CAS 224584-18-3
Catalog: |
BB017631 |
Product Name: |
3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic Acid |
CAS: |
224584-18-3 |
Synonyms: |
3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanecarboxylic acid; 3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid |
IUPAC Name: | 3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid |
Description: | 3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic Acid (CAS# 224584-18-3) is a useful research chemical compound. |
Molecular Weight: | 180.12 |
Molecular Formula: | C7H7F3O2 |
Canonical SMILES: | C1C2(CC1(C2)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C7H7F3O2/c8-7(9,10)6-1-5(2-6,3-6)4(11)12/h1-3H2,(H,11,12) |
InChI Key: | CGISBZCYXGUFNK-UHFFFAOYSA-N |
LogP: | 1.80360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021061802-A1 | Substituted pyridopyrimidinonyl compounds useful as t cell activators | 20190828 |
WO-2021041588-A1 | Substituted pyridopyrimidinonyl compounds useful as t cell activators | 20190828 |
CN-112654605-A | Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof | 20190809 |
WO-2021027647-A1 | Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof | 20190809 |
CA-3017388-A1 | Estrogen receptor modulators | 20160401 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.03981395 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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