1-(fluoromethoxy)-2-methylpropan-2-ol

C5H11FO2 — CID 142713623

IUPAC1-(fluoromethoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COCF
InChIInChI=1S/C5H11FO2/c1-5(2,7)3-8-4-6/h7H,3-4H2,1-2H3
InChIKeyMTQJRBNOPXSTIG-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.70
Rot. Bonds3

About 1-(fluoromethoxy)-2-methylpropan-2-ol

1-(fluoromethoxy)-2-methylpropan-2-ol (PubChem CID 142713623) has the molecular formula C5H11FO2 and a molecular weight of 122.14 g/mol. Its IUPAC name is 1-(fluoromethoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(fluoromethoxy)-2-methylpropan-2-ol
PubChem CID142713623
Molecular FormulaC5H11FO2
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Name1-(fluoromethoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COCF
InChIInChI=1S/C5H11FO2/c1-5(2,7)3-8-4-6/h7H,3-4H2,1-2H3
InChIKeyMTQJRBNOPXSTIG-UHFFFAOYSA-N
XLogP0.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(fluoromethoxy)-2-methylpropan-2-ol (CID 142713623) is 1-(fluoromethoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(fluoromethoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(fluoromethoxy)-2-methylpropan-2-ol is CC(C)(O)COCF.
What is the InChIKey of 1-(fluoromethoxy)-2-methylpropan-2-ol?
The InChIKey is MTQJRBNOPXSTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2/c1-5(2,7)3-8-4-6/h7H,3-4H2,1-2H3.
What are the key properties of 1-(fluoromethoxy)-2-methylpropan-2-ol?
1-(fluoromethoxy)-2-methylpropan-2-ol has a molecular weight of 122.14 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 142713623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).