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

C8H16F2O2 — CID 59205105

IUPAC2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane
SMILESC[C@@H](COC(F)F)OC(C)(C)C
InChIInChI=1S/C8H16F2O2/c1-6(5-11-7(9)10)12-8(2,3)4/h6-7H,5H2,1-4H3/t6-/m0/s1
InChIKeySYDKXFXBEZUKGH-LURJTMIESA-N
MW182.21 g/mol
LogP2.43
Rot. Bonds4

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

2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane (PubChem CID 59205105) has the molecular formula C8H16F2O2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane.

Molecular Properties

Compound Name2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane
PubChem CID59205105
Molecular FormulaC8H16F2O2
Molecular Weight182.21 g/mol
Exact Mass182.11
IUPAC Name2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane
SMILESC[C@@H](COC(F)F)OC(C)(C)C
InChIInChI=1S/C8H16F2O2/c1-6(5-11-7(9)10)12-8(2,3)4/h6-7H,5H2,1-4H3/t6-/m0/s1
InChIKeySYDKXFXBEZUKGH-LURJTMIESA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane?
The IUPAC name of 2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane (CID 59205105) is 2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane.
What is the SMILES notation for 2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane?
The canonical SMILES for 2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane is C[C@@H](COC(F)F)OC(C)(C)C.
What is the InChIKey of 2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane?
The InChIKey is SYDKXFXBEZUKGH-LURJTMIESA-N. The full InChI is InChI=1S/C8H16F2O2/c1-6(5-11-7(9)10)12-8(2,3)4/h6-7H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of 2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane?
2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane has a molecular weight of 182.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane is sourced from PubChem (CID 59205105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).