2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol

C11H21F3O3 — CID 146489801

IUPAC2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol
SMILESCCC(C)(O)CC(C)(CO)COCC(F)(F)F
InChIInChI=1S/C11H21F3O3/c1-4-10(3,16)5-9(2,6-15)7-17-8-11(12,13)14/h15-16H,4-8H2,1-3H3
InChIKeyMNNGKLQGOJARAQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.12
Rot. Bonds7

About 2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol

2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol (PubChem CID 146489801) has the molecular formula C11H21F3O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol.

Molecular Properties

Compound Name2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol
PubChem CID146489801
Molecular FormulaC11H21F3O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Name2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol
SMILESCCC(C)(O)CC(C)(CO)COCC(F)(F)F
InChIInChI=1S/C11H21F3O3/c1-4-10(3,16)5-9(2,6-15)7-17-8-11(12,13)14/h15-16H,4-8H2,1-3H3
InChIKeyMNNGKLQGOJARAQ-UHFFFAOYSA-N
XLogP2.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol?
The IUPAC name of 2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol (CID 146489801) is 2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol.
What is the SMILES notation for 2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol?
The canonical SMILES for 2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol is CCC(C)(O)CC(C)(CO)COCC(F)(F)F.
What is the InChIKey of 2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol?
The InChIKey is MNNGKLQGOJARAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3/c1-4-10(3,16)5-9(2,6-15)7-17-8-11(12,13)14/h15-16H,4-8H2,1-3H3.
What are the key properties of 2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol?
2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol has a molecular weight of 258.28 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol is sourced from PubChem (CID 146489801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).