1-(fluoromethoxy)-2-methylbutan-2-ol

C6H13FO2 — CID 142713618

IUPAC1-(fluoromethoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COCF
InChIInChI=1S/C6H13FO2/c1-3-6(2,8)4-9-5-7/h8H,3-5H2,1-2H3
InChIKeySIAGHRGPYDQWNG-UHFFFAOYSA-N
MW136.17 g/mol
LogP1.09
Rot. Bonds4

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

1-(fluoromethoxy)-2-methylbutan-2-ol (PubChem CID 142713618) has the molecular formula C6H13FO2 and a molecular weight of 136.17 g/mol. Its IUPAC name is 1-(fluoromethoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(fluoromethoxy)-2-methylbutan-2-ol
PubChem CID142713618
Molecular FormulaC6H13FO2
Molecular Weight136.17 g/mol
Exact Mass136.09
IUPAC Name1-(fluoromethoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COCF
InChIInChI=1S/C6H13FO2/c1-3-6(2,8)4-9-5-7/h8H,3-5H2,1-2H3
InChIKeySIAGHRGPYDQWNG-UHFFFAOYSA-N
XLogP1.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-2-methylbutan-2-ol?
The IUPAC name of 1-(fluoromethoxy)-2-methylbutan-2-ol (CID 142713618) is 1-(fluoromethoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(fluoromethoxy)-2-methylbutan-2-ol?
The canonical SMILES for 1-(fluoromethoxy)-2-methylbutan-2-ol is CCC(C)(O)COCF.
What is the InChIKey of 1-(fluoromethoxy)-2-methylbutan-2-ol?
The InChIKey is SIAGHRGPYDQWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO2/c1-3-6(2,8)4-9-5-7/h8H,3-5H2,1-2H3.
What are the key properties of 1-(fluoromethoxy)-2-methylbutan-2-ol?
1-(fluoromethoxy)-2-methylbutan-2-ol has a molecular weight of 136.17 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 142713618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).