3-(Trifluoromethyl)cyclohexane-1-carboxylic Acid - CAS 104907-44-0
Catalog: |
BB001515 |
Product Name: |
3-(Trifluoromethyl)cyclohexane-1-carboxylic Acid |
CAS: |
104907-44-0 |
Synonyms: |
3-(trifluoromethyl)-1-cyclohexanecarboxylic acid; 3-(trifluoromethyl)cyclohexane-1-carboxylic acid |
IUPAC Name: | 3-(trifluoromethyl)cyclohexane-1-carboxylic acid |
Description: | 3-(Trifluoromethyl)cyclohexane-1-carboxylic Acid (CAS# 104907-44-0) is a useful research chemical. |
Molecular Weight: | 196.17 |
Molecular Formula: | C8H11F3O2 |
Canonical SMILES: | C1CC(CC(C1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C8H11F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h5-6H,1-4H2,(H,12,13) |
InChI Key: | CJMWFGSSEGRSHR-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 2.43970 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2019151626-A | Pharmaceutical composition | 20180228 |
CA-3034802-A1 | Bicyclic nitrogenated heterocyclic compound | 20160826 |
EP-3505171-A1 | Bicyclic nitrogenated heterocyclic compound | 20160826 |
US-2019185479-A1 | Bicyclic nitrogenated heterocyclic compound | 20160826 |
AU-2017316965-B2 | Bicyclic nitrogenated heterocyclic compound | 20160826 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07111408 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07111408 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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