3,3-difluoro-1-methoxybutane

C5H10F2O — CID 20826506

IUPAC3,3-difluoro-1-methoxybutane
SMILESCOCCC(C)(F)F
InChIInChI=1S/C5H10F2O/c1-5(6,7)3-4-8-2/h3-4H2,1-2H3
InChIKeyRBAKSJNZOLHQDC-UHFFFAOYSA-N
MW124.13 g/mol
LogP1.68
Rot. Bonds3

About 3,3-difluoro-1-methoxybutane

3,3-difluoro-1-methoxybutane (PubChem CID 20826506) has the molecular formula C5H10F2O and a molecular weight of 124.13 g/mol. Its IUPAC name is 3,3-difluoro-1-methoxybutane.

Molecular Properties

Compound Name3,3-difluoro-1-methoxybutane
PubChem CID20826506
Molecular FormulaC5H10F2O
Molecular Weight124.13 g/mol
Exact Mass124.07
IUPAC Name3,3-difluoro-1-methoxybutane
SMILESCOCCC(C)(F)F
InChIInChI=1S/C5H10F2O/c1-5(6,7)3-4-8-2/h3-4H2,1-2H3
InChIKeyRBAKSJNZOLHQDC-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

Analyze 3,3-difluoro-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 3,3-difluoro-1-methoxybutane?
The IUPAC name of 3,3-difluoro-1-methoxybutane (CID 20826506) is 3,3-difluoro-1-methoxybutane.
What is the SMILES notation for 3,3-difluoro-1-methoxybutane?
The canonical SMILES for 3,3-difluoro-1-methoxybutane is COCCC(C)(F)F.
What is the InChIKey of 3,3-difluoro-1-methoxybutane?
The InChIKey is RBAKSJNZOLHQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O/c1-5(6,7)3-4-8-2/h3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-1-methoxybutane?
3,3-difluoro-1-methoxybutane has a molecular weight of 124.13 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methoxybutane is sourced from PubChem (CID 20826506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).