1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol

C10H20F2O2 — CID 58044621

IUPAC1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COCC(F)(F)C(C)(C)C
InChIInChI=1S/C10H20F2O2/c1-8(2,3)10(11,12)7-14-6-9(4,5)13/h13H,6-7H2,1-5H3
InChIKeyFODDTHXDJSHUOL-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.46
Rot. Bonds4

About 1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol

1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol (PubChem CID 58044621) has the molecular formula C10H20F2O2 and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol
PubChem CID58044621
Molecular FormulaC10H20F2O2
Molecular Weight210.26 g/mol
Exact Mass210.14
IUPAC Name1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COCC(F)(F)C(C)(C)C
InChIInChI=1S/C10H20F2O2/c1-8(2,3)10(11,12)7-14-6-9(4,5)13/h13H,6-7H2,1-5H3
InChIKeyFODDTHXDJSHUOL-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol (CID 58044621) is 1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol is CC(C)(O)COCC(F)(F)C(C)(C)C.
What is the InChIKey of 1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol?
The InChIKey is FODDTHXDJSHUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O2/c1-8(2,3)10(11,12)7-14-6-9(4,5)13/h13H,6-7H2,1-5H3.
What are the key properties of 1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol?
1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol has a molecular weight of 210.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3,3-dimethylbutoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 58044621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).