2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane

C8H17FO2 — CID 59205096

IUPAC2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane
SMILESC[C@@H](COCF)OC(C)(C)C
InChIInChI=1S/C8H17FO2/c1-7(5-10-6-9)11-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyVSDVRWSFRPUELH-ZETCQYMHSA-N
MW164.22 g/mol
LogP2.13
Rot. Bonds4

About 2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane

2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane (PubChem CID 59205096) has the molecular formula C8H17FO2 and a molecular weight of 164.22 g/mol. Its IUPAC name is 2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane.

Molecular Properties

Compound Name2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane
PubChem CID59205096
Molecular FormulaC8H17FO2
Molecular Weight164.22 g/mol
Exact Mass164.12
IUPAC Name2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane
SMILESC[C@@H](COCF)OC(C)(C)C
InChIInChI=1S/C8H17FO2/c1-7(5-10-6-9)11-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyVSDVRWSFRPUELH-ZETCQYMHSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane?
The IUPAC name of 2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane (CID 59205096) is 2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane.
What is the SMILES notation for 2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane?
The canonical SMILES for 2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane is C[C@@H](COCF)OC(C)(C)C.
What is the InChIKey of 2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane?
The InChIKey is VSDVRWSFRPUELH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17FO2/c1-7(5-10-6-9)11-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane?
2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane has a molecular weight of 164.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(fluoromethoxy)propan-2-yl]oxy-2-methylpropane is sourced from PubChem (CID 59205096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).