2-fluoro-1-methoxybutane

C5H11FO — CID 12700781

IUPAC2-fluoro-1-methoxybutane
SMILESCCC(F)COC
InChIInChI=1S/C5H11FO/c1-3-5(6)4-7-2/h5H,3-4H2,1-2H3
InChIKeyWZQVIHSKEKBWSC-UHFFFAOYSA-N
MW106.14 g/mol
LogP1.38
Rot. Bonds3

About 2-fluoro-1-methoxybutane

2-fluoro-1-methoxybutane (PubChem CID 12700781) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is 2-fluoro-1-methoxybutane.

Molecular Properties

Compound Name2-fluoro-1-methoxybutane
PubChem CID12700781
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name2-fluoro-1-methoxybutane
SMILESCCC(F)COC
InChIInChI=1S/C5H11FO/c1-3-5(6)4-7-2/h5H,3-4H2,1-2H3
InChIKeyWZQVIHSKEKBWSC-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-1-methoxybutane 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-fluoro-1-methoxybutane?
The IUPAC name of 2-fluoro-1-methoxybutane (CID 12700781) is 2-fluoro-1-methoxybutane.
What is the SMILES notation for 2-fluoro-1-methoxybutane?
The canonical SMILES for 2-fluoro-1-methoxybutane is CCC(F)COC.
What is the InChIKey of 2-fluoro-1-methoxybutane?
The InChIKey is WZQVIHSKEKBWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO/c1-3-5(6)4-7-2/h5H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-1-methoxybutane?
2-fluoro-1-methoxybutane has a molecular weight of 106.14 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxybutane is sourced from PubChem (CID 12700781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).