1,2-difluoro-2-(fluoromethoxymethyl)butane

C6H11F3O — CID 58587214

IUPAC1,2-difluoro-2-(fluoromethoxymethyl)butane
SMILESCCC(F)(CF)COCF
InChIInChI=1S/C6H11F3O/c1-2-6(9,3-7)4-10-5-8/h2-5H2,1H3
InChIKeyRHWVFLJQIFKJRJ-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.02
Rot. Bonds5

About 1,2-difluoro-2-(fluoromethoxymethyl)butane

1,2-difluoro-2-(fluoromethoxymethyl)butane (PubChem CID 58587214) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 1,2-difluoro-2-(fluoromethoxymethyl)butane.

Molecular Properties

Compound Name1,2-difluoro-2-(fluoromethoxymethyl)butane
PubChem CID58587214
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name1,2-difluoro-2-(fluoromethoxymethyl)butane
SMILESCCC(F)(CF)COCF
InChIInChI=1S/C6H11F3O/c1-2-6(9,3-7)4-10-5-8/h2-5H2,1H3
InChIKeyRHWVFLJQIFKJRJ-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(fluoromethoxy)-2-methylbutan-2-ol
CID 142713618
1,1-difluoro-2-(fluoromethoxy)-1-methoxyethane
CID 59991528
bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate
CID 139329509
2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane
CID 159500657
N,1-difluoro-N-(fluoromethyl)methanamine;difluoromethane;fluoro(fluoromethoxy)methane;fluoromethane;1,1,1,2-tetrafluoroethane
CID 91590576
CID 173032522
CID 173032522
4-ethyl-4-fluoroheptane;propane
CID 171657626
1-chloro-1,1-difluoropropane;trichloro(fluoro)methane
CID 135365106
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745
2-ethyl-2-fluoro-N,N-dimethylbutan-1-amine
CID 177186880
1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
CID 59492085
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-2-(fluoromethoxymethyl)butane?
The IUPAC name of 1,2-difluoro-2-(fluoromethoxymethyl)butane (CID 58587214) is 1,2-difluoro-2-(fluoromethoxymethyl)butane.
What is the SMILES notation for 1,2-difluoro-2-(fluoromethoxymethyl)butane?
The canonical SMILES for 1,2-difluoro-2-(fluoromethoxymethyl)butane is CCC(F)(CF)COCF.
What is the InChIKey of 1,2-difluoro-2-(fluoromethoxymethyl)butane?
The InChIKey is RHWVFLJQIFKJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-2-6(9,3-7)4-10-5-8/h2-5H2,1H3.
What are the key properties of 1,2-difluoro-2-(fluoromethoxymethyl)butane?
1,2-difluoro-2-(fluoromethoxymethyl)butane has a molecular weight of 156.15 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-2-(fluoromethoxymethyl)butane is sourced from PubChem (CID 58587214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).