4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol

C12H23F3O3 — CID 88533784

IUPAC4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol
SMILESCCOCC(C)(COCC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C12H23F3O3/c1-5-17-7-11(4,6-10(2,3)16)8-18-9-12(13,14)15/h16H,5-9H2,1-4H3
InChIKeyDEINXTLRGBJSTF-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.77
Rot. Bonds8

About 4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol

4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol (PubChem CID 88533784) has the molecular formula C12H23F3O3 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol.

Molecular Properties

Compound Name4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol
PubChem CID88533784
Molecular FormulaC12H23F3O3
Molecular Weight272.31 g/mol
Exact Mass272.16
IUPAC Name4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol
SMILESCCOCC(C)(COCC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C12H23F3O3/c1-5-17-7-11(4,6-10(2,3)16)8-18-9-12(13,14)15/h16H,5-9H2,1-4H3
InChIKeyDEINXTLRGBJSTF-UHFFFAOYSA-N
XLogP2.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The IUPAC name of 4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol (CID 88533784) is 4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol.
What is the SMILES notation for 4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The canonical SMILES for 4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol is CCOCC(C)(COCC(F)(F)F)CC(C)(C)O.
What is the InChIKey of 4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The InChIKey is DEINXTLRGBJSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O3/c1-5-17-7-11(4,6-10(2,3)16)8-18-9-12(13,14)15/h16H,5-9H2,1-4H3.
What are the key properties of 4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol has a molecular weight of 272.31 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2,4-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-ol is sourced from PubChem (CID 88533784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).