2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol

C11H21F3O3 — CID 146356273

IUPAC2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol
SMILESCCC(CO)C(COCC(F)(F)F)CC(C)O
InChIInChI=1S/C11H21F3O3/c1-3-9(5-15)10(4-8(2)16)6-17-7-11(12,13)14/h8-10,15-16H,3-7H2,1-2H3
InChIKeyVOMHSMWAEXZUPO-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.97
Rot. Bonds8

About 2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol

2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol (PubChem CID 146356273) has the molecular formula C11H21F3O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol.

Molecular Properties

Compound Name2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol
PubChem CID146356273
Molecular FormulaC11H21F3O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Name2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol
SMILESCCC(CO)C(COCC(F)(F)F)CC(C)O
InChIInChI=1S/C11H21F3O3/c1-3-9(5-15)10(4-8(2)16)6-17-7-11(12,13)14/h8-10,15-16H,3-7H2,1-2H3
InChIKeyVOMHSMWAEXZUPO-UHFFFAOYSA-N
XLogP1.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-5,5,5-trifluoro-2-propylpentane-1,4-diol
CID 89307284
(2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol
CID 89416586
2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanol
CID 124157758
2-Ethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol
CID 146489947
4-(2,2,3,3-Tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol
CID 166846780
3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-2-ol
CID 61748351
2-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-ol
CID 61748988
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-ol
CID 61749372
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-2-ol
CID 61749974
4-Methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-ol
CID 62914061
3-Propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-ol
CID 62914427
4-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-ol
CID 63559724

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol?
The IUPAC name of 2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol (CID 146356273) is 2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol.
What is the SMILES notation for 2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol?
The canonical SMILES for 2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol is CCC(CO)C(COCC(F)(F)F)CC(C)O.
What is the InChIKey of 2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol?
The InChIKey is VOMHSMWAEXZUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3/c1-3-9(5-15)10(4-8(2)16)6-17-7-11(12,13)14/h8-10,15-16H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol?
2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol has a molecular weight of 258.28 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2,2,2-trifluoroethoxymethyl)hexane-1,5-diol is sourced from PubChem (CID 146356273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).