3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane

C9H18F2O2 — CID 121265047

IUPAC3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane
SMILESCC(C)(F)OCCC(C)(C)OCF
InChIInChI=1S/C9H18F2O2/c1-8(2,13-7-10)5-6-12-9(3,4)11/h5-7H2,1-4H3
InChIKeyUOPBTBAUHIFEBD-UHFFFAOYSA-N
MW196.24 g/mol
LogP2.82
Rot. Bonds6

About 3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane

3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane (PubChem CID 121265047) has the molecular formula C9H18F2O2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane.

Molecular Properties

Compound Name3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane
PubChem CID121265047
Molecular FormulaC9H18F2O2
Molecular Weight196.24 g/mol
Exact Mass196.13
IUPAC Name3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane
SMILESCC(C)(F)OCCC(C)(C)OCF
InChIInChI=1S/C9H18F2O2/c1-8(2,13-7-10)5-6-12-9(3,4)11/h5-7H2,1-4H3
InChIKeyUOPBTBAUHIFEBD-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane
CID 20783120
1,2-Diethoxy-2-(ethoxymethyl)-3-fluorobutane
CID 22164486
2,2-Difluoro-1-[(2-methylpropan-2-yl)oxy]butane
CID 58266311
2-Fluoro-1-[(2-methylpropan-2-yl)oxy]butane
CID 58266770
2-[2,2-Difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
CID 58275588
2-(2,2-Difluoro-3-propan-2-yloxypropoxy)-2-methylpropane
CID 58275624
1-(3,3-Difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane
CID 88557552
3,3-Difluoro-1-[(2-methylpropan-2-yl)oxy]butane
CID 88885876
2,3-Difluoro-1-[(2-methylpropan-2-yl)oxy]butane
CID 88885877
1,2-Difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane
CID 88885879
1,2-Difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 88885880
2-(3-Ethoxy-2,2-difluoropropoxy)-2-methylpropane
CID 88944540

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane?
The IUPAC name of 3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane (CID 121265047) is 3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane.
What is the SMILES notation for 3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane?
The canonical SMILES for 3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane is CC(C)(F)OCCC(C)(C)OCF.
What is the InChIKey of 3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane?
The InChIKey is UOPBTBAUHIFEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O2/c1-8(2,13-7-10)5-6-12-9(3,4)11/h5-7H2,1-4H3.
What are the key properties of 3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane?
3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane has a molecular weight of 196.24 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)-1-(2-fluoropropan-2-yloxy)-3-methylbutane is sourced from PubChem (CID 121265047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).