1,4-difluoro-2-methoxybutane

C5H10F2O — CID 54554306

IUPAC1,4-difluoro-2-methoxybutane
SMILESCOC(CF)CCF
InChIInChI=1S/C5H10F2O/c1-8-5(4-7)2-3-6/h5H,2-4H2,1H3
InChIKeyZMBWPWWBHXQGFV-UHFFFAOYSA-N
MW124.13 g/mol
LogP1.33
Rot. Bonds4

About 1,4-difluoro-2-methoxybutane

1,4-difluoro-2-methoxybutane (PubChem CID 54554306) has the molecular formula C5H10F2O and a molecular weight of 124.13 g/mol. Its IUPAC name is 1,4-difluoro-2-methoxybutane.

Molecular Properties

Compound Name1,4-difluoro-2-methoxybutane
PubChem CID54554306
Molecular FormulaC5H10F2O
Molecular Weight124.13 g/mol
Exact Mass124.07
IUPAC Name1,4-difluoro-2-methoxybutane
SMILESCOC(CF)CCF
InChIInChI=1S/C5H10F2O/c1-8-5(4-7)2-3-6/h5H,2-4H2,1H3
InChIKeyZMBWPWWBHXQGFV-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-methoxybutane?
The IUPAC name of 1,4-difluoro-2-methoxybutane (CID 54554306) is 1,4-difluoro-2-methoxybutane.
What is the SMILES notation for 1,4-difluoro-2-methoxybutane?
The canonical SMILES for 1,4-difluoro-2-methoxybutane is COC(CF)CCF.
What is the InChIKey of 1,4-difluoro-2-methoxybutane?
The InChIKey is ZMBWPWWBHXQGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O/c1-8-5(4-7)2-3-6/h5H,2-4H2,1H3.
What are the key properties of 1,4-difluoro-2-methoxybutane?
1,4-difluoro-2-methoxybutane has a molecular weight of 124.13 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-methoxybutane is sourced from PubChem (CID 54554306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).