(2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol

C9H9F9O3 — CID 98047882

IUPAC(2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol
SMILESC[C@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)O1
InChIInChI=1S/C9H9F9O3/c1-4(7(10,11)12)2-5(19,8(13,14)15)3-6(20,21-4)9(16,17)18/h19-20H,2-3H2,1H3/t4-,5-,6-/m1/s1
InChIKeyZHZPKMZKYBQGKG-HSUXUTPPSA-N
MW336.15 g/mol
LogP2.66
Rot. Bonds

About (2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol

(2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol (PubChem CID 98047882) has the molecular formula C9H9F9O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is (2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol.

Molecular Properties

Compound Name(2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol
PubChem CID98047882
Molecular FormulaC9H9F9O3
Molecular Weight336.15 g/mol
Exact Mass336.04
IUPAC Name(2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol
SMILESC[C@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)O1
InChIInChI=1S/C9H9F9O3/c1-4(7(10,11)12)2-5(19,8(13,14)15)3-6(20,21-4)9(16,17)18/h19-20H,2-3H2,1H3/t4-,5-,6-/m1/s1
InChIKeyZHZPKMZKYBQGKG-HSUXUTPPSA-N
XLogP2.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol
CID 118234295
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CID 83960347
2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one
CID 2880692
(2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one
CID 699731
oxolane;4-(trifluoromethyl)piperidin-4-ol
CID 175226361
(4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol
CID 59705891
ethane;2-methyl-2-(trifluoromethyl)oxetane
CID 177148126
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080
2-[4,6-dihydroxy-2-methyl-2-(trifluoromethyl)oxan-4-yl]prop-2-enoic acid
CID 22348613
ethane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 170646332
3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 64737726
(2R)-2-methyl-2-(trifluoromethyl)morpholine
CID 124552386

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol?
The IUPAC name of (2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol (CID 98047882) is (2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol.
What is the SMILES notation for (2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol?
The canonical SMILES for (2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol is C[C@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)O1.
What is the InChIKey of (2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol?
The InChIKey is ZHZPKMZKYBQGKG-HSUXUTPPSA-N. The full InChI is InChI=1S/C9H9F9O3/c1-4(7(10,11)12)2-5(19,8(13,14)15)3-6(20,21-4)9(16,17)18/h19-20H,2-3H2,1H3/t4-,5-,6-/m1/s1.
What are the key properties of (2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol?
(2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol has a molecular weight of 336.15 g/mol, XLogP of 2.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol is sourced from PubChem (CID 98047882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).