2-(2-fluoroethoxy)butane

C6H13FO — CID 90696578

IUPAC2-(2-fluoroethoxy)butane
SMILESCCC(C)OCCF
InChIInChI=1S/C6H13FO/c1-3-6(2)8-5-4-7/h6H,3-5H2,1-2H3
InChIKeyZAVLJHSRVXAULO-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.77
Rot. Bonds4

About 2-(2-fluoroethoxy)butane

2-(2-fluoroethoxy)butane (PubChem CID 90696578) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)butane.

Molecular Properties

Compound Name2-(2-fluoroethoxy)butane
PubChem CID90696578
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name2-(2-fluoroethoxy)butane
SMILESCCC(C)OCCF
InChIInChI=1S/C6H13FO/c1-3-6(2)8-5-4-7/h6H,3-5H2,1-2H3
InChIKeyZAVLJHSRVXAULO-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-fluoroethoxy)butane 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 2-(2-fluoroethoxy)butane?
The IUPAC name of 2-(2-fluoroethoxy)butane (CID 90696578) is 2-(2-fluoroethoxy)butane.
What is the SMILES notation for 2-(2-fluoroethoxy)butane?
The canonical SMILES for 2-(2-fluoroethoxy)butane is CCC(C)OCCF.
What is the InChIKey of 2-(2-fluoroethoxy)butane?
The InChIKey is ZAVLJHSRVXAULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-3-6(2)8-5-4-7/h6H,3-5H2,1-2H3.
What are the key properties of 2-(2-fluoroethoxy)butane?
2-(2-fluoroethoxy)butane has a molecular weight of 120.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)butane is sourced from PubChem (CID 90696578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).