1-(1-fluoroethoxy)-3-methoxy-3-methylbutane

C8H17FO2 — CID 145215098

IUPAC1-(1-fluoroethoxy)-3-methoxy-3-methylbutane
SMILESCOC(C)(C)CCOC(C)F
InChIInChI=1S/C8H17FO2/c1-7(9)11-6-5-8(2,3)10-4/h7H,5-6H2,1-4H3
InChIKeyCNJREVICPKLLMF-UHFFFAOYSA-N
MW164.22 g/mol
LogP2.13
Rot. Bonds5

About 1-(1-fluoroethoxy)-3-methoxy-3-methylbutane

1-(1-fluoroethoxy)-3-methoxy-3-methylbutane (PubChem CID 145215098) has the molecular formula C8H17FO2 and a molecular weight of 164.22 g/mol. Its IUPAC name is 1-(1-fluoroethoxy)-3-methoxy-3-methylbutane.

Molecular Properties

Compound Name1-(1-fluoroethoxy)-3-methoxy-3-methylbutane
PubChem CID145215098
Molecular FormulaC8H17FO2
Molecular Weight164.22 g/mol
Exact Mass164.12
IUPAC Name1-(1-fluoroethoxy)-3-methoxy-3-methylbutane
SMILESCOC(C)(C)CCOC(C)F
InChIInChI=1S/C8H17FO2/c1-7(9)11-6-5-8(2,3)10-4/h7H,5-6H2,1-4H3
InChIKeyCNJREVICPKLLMF-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-fluoroethoxy)-3-methoxy-3-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethoxy)-3-methoxy-3-methylbutane?
The IUPAC name of 1-(1-fluoroethoxy)-3-methoxy-3-methylbutane (CID 145215098) is 1-(1-fluoroethoxy)-3-methoxy-3-methylbutane.
What is the SMILES notation for 1-(1-fluoroethoxy)-3-methoxy-3-methylbutane?
The canonical SMILES for 1-(1-fluoroethoxy)-3-methoxy-3-methylbutane is COC(C)(C)CCOC(C)F.
What is the InChIKey of 1-(1-fluoroethoxy)-3-methoxy-3-methylbutane?
The InChIKey is CNJREVICPKLLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO2/c1-7(9)11-6-5-8(2,3)10-4/h7H,5-6H2,1-4H3.
What are the key properties of 1-(1-fluoroethoxy)-3-methoxy-3-methylbutane?
1-(1-fluoroethoxy)-3-methoxy-3-methylbutane has a molecular weight of 164.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethoxy)-3-methoxy-3-methylbutane is sourced from PubChem (CID 145215098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).