2-(difluoromethoxy)-3-methylbutane

C6H12F2O — CID 89040195

IUPAC2-(difluoromethoxy)-3-methylbutane
SMILESCC(C)C(C)OC(F)F
InChIInChI=1S/C6H12F2O/c1-4(2)5(3)9-6(7)8/h4-6H,1-3H3
InChIKeyFKHGWGULVDKLSF-UHFFFAOYSA-N
MW138.16 g/mol
LogP2.27
Rot. Bonds3

About 2-(difluoromethoxy)-3-methylbutane

2-(difluoromethoxy)-3-methylbutane (PubChem CID 89040195) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methylbutane.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methylbutane
PubChem CID89040195
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name2-(difluoromethoxy)-3-methylbutane
SMILESCC(C)C(C)OC(F)F
InChIInChI=1S/C6H12F2O/c1-4(2)5(3)9-6(7)8/h4-6H,1-3H3
InChIKeyFKHGWGULVDKLSF-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethoxy)-3-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-3-methoxy-2-methylbutane
CID 12700782
2-(Difluoromethoxy)propane
CID 14400534
1,1,1,2,4,4,4-Heptafluoro-3-methoxy-2-(trifluoromethyl)butane
CID 21732773
1,1,1-Trifluoro-2-methoxybutane
CID 20625795
1,1,1-Trifluoro-3-methoxy-2-methylpropane
CID 20746379
(4-Fluoro-3-methylbutan-2-yl) hypofluorite
CID 20802300
1,1,1-Trifluoro-2-methoxy-4-methylpentane
CID 23395519
1,1,1-Trifluoro-3-methoxybutane
CID 53948797
1,1,1-Trifluoro-4-methoxy-2-methylbutane
CID 54079436
1,1,4-Trifluoro-2-methoxybutane
CID 54469512
1,1,4-Trifluoro-3-methoxybutane
CID 54522075
1,3,3-Trifluoro-2-methoxybutane
CID 54540168

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methylbutane?
The IUPAC name of 2-(difluoromethoxy)-3-methylbutane (CID 89040195) is 2-(difluoromethoxy)-3-methylbutane.
What is the SMILES notation for 2-(difluoromethoxy)-3-methylbutane?
The canonical SMILES for 2-(difluoromethoxy)-3-methylbutane is CC(C)C(C)OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methylbutane?
The InChIKey is FKHGWGULVDKLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c1-4(2)5(3)9-6(7)8/h4-6H,1-3H3.
What are the key properties of 2-(difluoromethoxy)-3-methylbutane?
2-(difluoromethoxy)-3-methylbutane has a molecular weight of 138.16 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methylbutane is sourced from PubChem (CID 89040195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).