4-(Trifluoromethyl)tetrahydropyran-4-ol - CAS 1251358-35-6
Catalog: |
BB006079 |
Product Name: |
4-(Trifluoromethyl)tetrahydropyran-4-ol |
CAS: |
1251358-35-6 |
Synonyms: |
4-(trifluoromethyl)-4-oxanol; 4-(trifluoromethyl)oxan-4-ol |
IUPAC Name: | 4-(trifluoromethyl)oxan-4-ol |
Description: | 4-(Trifluoromethyl)tetrahydropyran-4-ol (CAS# 1251358-35-6) is a useful research chemical. |
Molecular Weight: | 170.13 |
Molecular Formula: | C6H9F3O2 |
Canonical SMILES: | C1COCCC1(C(F)(F)F)O |
InChI: | InChI=1S/C6H9F3O2/c7-6(8,9)5(10)1-3-11-4-2-5/h10H,1-4H2 |
InChI Key: | MLILQWLEIJLQNC-UHFFFAOYSA-N |
MDL: | MFCD16067947 |
LogP: | 1.09020 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2012392557-A1 | Hepatitis C virus inhibitors | 20121019 |
AU-2012392557-B2 | Hepatitis C virus inhibitors | 20121019 |
CA-2888755-A1 | Hepatitis c virus inhibitors | 20121019 |
DK-2909205-T3 | 9-methyl-substituted hexadecahydrocyclopropa (e) pyrrol (1,2-a) (1,4) diazocyclopentadecinylcarbamate derivatives as non-structural 3 (ns3) protease inhibitors for treatment | 20121019 |
EA-025560-B1 | Hepatitis c virus inhibitors | 20121019 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.05546401 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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