1-(difluoromethoxy)butane

C5H10F2O — CID 23221702

IUPAC1-(difluoromethoxy)butane
SMILESCCCCOC(F)F
InChIInChI=1S/C5H10F2O/c1-2-3-4-8-5(6)7/h5H,2-4H2,1H3
InChIKeyMZNOZCNMWMZOED-UHFFFAOYSA-N
MW124.13 g/mol
LogP2.03
Rot. Bonds4

About 1-(difluoromethoxy)butane

1-(difluoromethoxy)butane (PubChem CID 23221702) has the molecular formula C5H10F2O and a molecular weight of 124.13 g/mol. Its IUPAC name is 1-(difluoromethoxy)butane.

Molecular Properties

Compound Name1-(difluoromethoxy)butane
PubChem CID23221702
Molecular FormulaC5H10F2O
Molecular Weight124.13 g/mol
Exact Mass124.07
IUPAC Name1-(difluoromethoxy)butane
SMILESCCCCOC(F)F
InChIInChI=1S/C5H10F2O/c1-2-3-4-8-5(6)7/h5H,2-4H2,1H3
InChIKeyMZNOZCNMWMZOED-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)butane?
The IUPAC name of 1-(difluoromethoxy)butane (CID 23221702) is 1-(difluoromethoxy)butane.
What is the SMILES notation for 1-(difluoromethoxy)butane?
The canonical SMILES for 1-(difluoromethoxy)butane is CCCCOC(F)F.
What is the InChIKey of 1-(difluoromethoxy)butane?
The InChIKey is MZNOZCNMWMZOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O/c1-2-3-4-8-5(6)7/h5H,2-4H2,1H3.
What are the key properties of 1-(difluoromethoxy)butane?
1-(difluoromethoxy)butane has a molecular weight of 124.13 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)butane is sourced from PubChem (CID 23221702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).