6-hexoxy-2-(trifluoromethyl)oxan-3-ol

C12H21F3O3 — CID 19389373

IUPAC6-hexoxy-2-(trifluoromethyl)oxan-3-ol
SMILESCCCCCCOC1CCC(O)C(C(F)(F)F)O1
InChIInChI=1S/C12H21F3O3/c1-2-3-4-5-8-17-10-7-6-9(16)11(18-10)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyOOAVVNUXUDKSLT-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.01
Rot. Bonds6

About 6-hexoxy-2-(trifluoromethyl)oxan-3-ol

6-hexoxy-2-(trifluoromethyl)oxan-3-ol (PubChem CID 19389373) has the molecular formula C12H21F3O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-hexoxy-2-(trifluoromethyl)oxan-3-ol.

Molecular Properties

Compound Name6-hexoxy-2-(trifluoromethyl)oxan-3-ol
PubChem CID19389373
Molecular FormulaC12H21F3O3
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Name6-hexoxy-2-(trifluoromethyl)oxan-3-ol
SMILESCCCCCCOC1CCC(O)C(C(F)(F)F)O1
InChIInChI=1S/C12H21F3O3/c1-2-3-4-5-8-17-10-7-6-9(16)11(18-10)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyOOAVVNUXUDKSLT-UHFFFAOYSA-N
XLogP3.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-6-tetradecoxyoxan-3-ol
CID 144591243
(2S,3S,6R)-6-hexoxy-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-3-ol
CID 22880101
2-decoxy-6-methyloxane
CID 160930984
2-octacosoxyoxane
CID 11214102
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol
CID 121434694
heptoxycyclopropane
CID 54099544
2-heptoxycyclohexan-1-ol
CID 18953012
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
[(2R,3R,6R)-6-hexoxy-2-(trifluoromethyl)oxan-3-yl] 6-(4-decoxyphenyl)-1-formyloxynaphthalene-2-carboxylate
CID 54316402
(2R)-2-decoxyoxan-3-ol
CID 164930030

Frequently Asked Questions

What is the IUPAC name of 6-hexoxy-2-(trifluoromethyl)oxan-3-ol?
The IUPAC name of 6-hexoxy-2-(trifluoromethyl)oxan-3-ol (CID 19389373) is 6-hexoxy-2-(trifluoromethyl)oxan-3-ol.
What is the SMILES notation for 6-hexoxy-2-(trifluoromethyl)oxan-3-ol?
The canonical SMILES for 6-hexoxy-2-(trifluoromethyl)oxan-3-ol is CCCCCCOC1CCC(O)C(C(F)(F)F)O1.
What is the InChIKey of 6-hexoxy-2-(trifluoromethyl)oxan-3-ol?
The InChIKey is OOAVVNUXUDKSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O3/c1-2-3-4-5-8-17-10-7-6-9(16)11(18-10)12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of 6-hexoxy-2-(trifluoromethyl)oxan-3-ol?
6-hexoxy-2-(trifluoromethyl)oxan-3-ol has a molecular weight of 270.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-2-(trifluoromethyl)oxan-3-ol is sourced from PubChem (CID 19389373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).