1-(2,3-difluorophenoxy)-2-methylbutan-2-ol

C11H14F2O2 — CID 114496070

IUPAC1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1cccc(F)c1F
InChIInChI=1S/C11H14F2O2/c1-3-11(2,14)7-15-9-6-4-5-8(12)10(9)13/h4-6,14H,3,7H2,1-2H3
InChIKeyXWFWHBHZRVQNKZ-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.50
Rot. Bonds4

About 1-(2,3-difluorophenoxy)-2-methylbutan-2-ol

1-(2,3-difluorophenoxy)-2-methylbutan-2-ol (PubChem CID 114496070) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(2,3-difluorophenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
PubChem CID114496070
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1cccc(F)c1F
InChIInChI=1S/C11H14F2O2/c1-3-11(2,14)7-15-9-6-4-5-8(12)10(9)13/h4-6,14H,3,7H2,1-2H3
InChIKeyXWFWHBHZRVQNKZ-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 107100783
1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol
CID 114495975
1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494492
1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494372
2-methyl-1-[(2-methyl-3-pyridinyl)oxy]butan-2-ol
CID 114496106
1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 114496129
1-[2-(2-hydroxy-2-methylbutoxy)phenyl]ethanone
CID 114493911
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
1-(2,6-difluorophenyl)-2-methylbutan-2-ol
CID 114930976
1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686628
1-dodecoxy-2,3-difluorobenzene
CID 15854521
1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene
CID 130719015

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenoxy)-2-methylbutan-2-ol?
The IUPAC name of 1-(2,3-difluorophenoxy)-2-methylbutan-2-ol (CID 114496070) is 1-(2,3-difluorophenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,3-difluorophenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,3-difluorophenoxy)-2-methylbutan-2-ol is CCC(C)(O)COc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenoxy)-2-methylbutan-2-ol?
The InChIKey is XWFWHBHZRVQNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-3-11(2,14)7-15-9-6-4-5-8(12)10(9)13/h4-6,14H,3,7H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenoxy)-2-methylbutan-2-ol?
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol has a molecular weight of 216.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 114496070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).