1-(difluoromethoxy)-2-methylbutane

C6H12F2O — CID 87379363

IUPAC1-(difluoromethoxy)-2-methylbutane
SMILESCCC(C)COC(F)F
InChIInChI=1S/C6H12F2O/c1-3-5(2)4-9-6(7)8/h5-6H,3-4H2,1-2H3
InChIKeyMMGZNTNHXFRZFL-UHFFFAOYSA-N
MW138.16 g/mol
LogP2.27
Rot. Bonds4

About 1-(difluoromethoxy)-2-methylbutane

1-(difluoromethoxy)-2-methylbutane (PubChem CID 87379363) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-methylbutane.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-methylbutane
PubChem CID87379363
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name1-(difluoromethoxy)-2-methylbutane
SMILESCCC(C)COC(F)F
InChIInChI=1S/C6H12F2O/c1-3-5(2)4-9-6(7)8/h5-6H,3-4H2,1-2H3
InChIKeyMMGZNTNHXFRZFL-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 1-(difluoromethoxy)-2-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

1-(Difluoromethoxy)butane
CID 23221702
1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
1,1,2,2,4,4,4-Heptafluoro-1-methoxy-3-(trifluoromethyl)butane
CID 21732774
2-Methyl-1-(2,2,2-trifluoroethoxy)propane
CID 12095509
1,1,1,2,3,3-Hexafluoro-4-methoxy-2-(trifluoromethyl)butane
CID 19063468
1,1,1-Trifluoro-4-methoxy-2-(methoxymethyl)butane
CID 20641211
1-(Trifluoromethoxy)butane
CID 20725973
1,1,1-Trifluoro-3-methoxy-2-methylpropane
CID 20746379
2-Methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
CID 20793147
1-Ethoxy-1,1-difluoro-2-methylbutane
CID 20802235
3,3-Difluoro-1-methoxybutane
CID 20826506

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-methylbutane?
The IUPAC name of 1-(difluoromethoxy)-2-methylbutane (CID 87379363) is 1-(difluoromethoxy)-2-methylbutane.
What is the SMILES notation for 1-(difluoromethoxy)-2-methylbutane?
The canonical SMILES for 1-(difluoromethoxy)-2-methylbutane is CCC(C)COC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-methylbutane?
The InChIKey is MMGZNTNHXFRZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c1-3-5(2)4-9-6(7)8/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-2-methylbutane?
1-(difluoromethoxy)-2-methylbutane has a molecular weight of 138.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-methylbutane is sourced from PubChem (CID 87379363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).