1-fluoro-2-(fluoromethoxy)butane

C5H10F2O — CID 21137997

IUPAC1-fluoro-2-(fluoromethoxy)butane
SMILESCCC(CF)OCF
InChIInChI=1S/C5H10F2O/c1-2-5(3-6)8-4-7/h5H,2-4H2,1H3
InChIKeyGJXLDAGERUBCPU-UHFFFAOYSA-N
MW124.13 g/mol
LogP1.68
Rot. Bonds4

About 1-fluoro-2-(fluoromethoxy)butane

1-fluoro-2-(fluoromethoxy)butane (PubChem CID 21137997) has the molecular formula C5H10F2O and a molecular weight of 124.13 g/mol. Its IUPAC name is 1-fluoro-2-(fluoromethoxy)butane.

Molecular Properties

Compound Name1-fluoro-2-(fluoromethoxy)butane
PubChem CID21137997
Molecular FormulaC5H10F2O
Molecular Weight124.13 g/mol
Exact Mass124.07
IUPAC Name1-fluoro-2-(fluoromethoxy)butane
SMILESCCC(CF)OCF
InChIInChI=1S/C5H10F2O/c1-2-5(3-6)8-4-7/h5H,2-4H2,1H3
InChIKeyGJXLDAGERUBCPU-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.13
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(fluoromethoxy)butane?
The IUPAC name of 1-fluoro-2-(fluoromethoxy)butane (CID 21137997) is 1-fluoro-2-(fluoromethoxy)butane.
What is the SMILES notation for 1-fluoro-2-(fluoromethoxy)butane?
The canonical SMILES for 1-fluoro-2-(fluoromethoxy)butane is CCC(CF)OCF.
What is the InChIKey of 1-fluoro-2-(fluoromethoxy)butane?
The InChIKey is GJXLDAGERUBCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O/c1-2-5(3-6)8-4-7/h5H,2-4H2,1H3.
What are the key properties of 1-fluoro-2-(fluoromethoxy)butane?
1-fluoro-2-(fluoromethoxy)butane has a molecular weight of 124.13 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(fluoromethoxy)butane is sourced from PubChem (CID 21137997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).