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

Technical Data

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Computed Properties

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

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

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[110238-91-0]
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[1080028-76-7]
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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

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