1-(2,2-difluorobutoxy)-2-methylpropan-2-ol

C8H16F2O2 — CID 88583150

IUPAC1-(2,2-difluorobutoxy)-2-methylpropan-2-ol
SMILESCCC(F)(F)COCC(C)(C)O
InChIInChI=1S/C8H16F2O2/c1-4-8(9,10)6-12-5-7(2,3)11/h11H,4-6H2,1-3H3
InChIKeyAVCQVUZUVCMKJI-UHFFFAOYSA-N
MW182.21 g/mol
LogP1.82
Rot. Bonds5

About 1-(2,2-difluorobutoxy)-2-methylpropan-2-ol

1-(2,2-difluorobutoxy)-2-methylpropan-2-ol (PubChem CID 88583150) has the molecular formula C8H16F2O2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 1-(2,2-difluorobutoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,2-difluorobutoxy)-2-methylpropan-2-ol
PubChem CID88583150
Molecular FormulaC8H16F2O2
Molecular Weight182.21 g/mol
Exact Mass182.11
IUPAC Name1-(2,2-difluorobutoxy)-2-methylpropan-2-ol
SMILESCCC(F)(F)COCC(C)(C)O
InChIInChI=1S/C8H16F2O2/c1-4-8(9,10)6-12-5-7(2,3)11/h11H,4-6H2,1-3H3
InChIKeyAVCQVUZUVCMKJI-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorobutoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,2-difluorobutoxy)-2-methylpropan-2-ol (CID 88583150) is 1-(2,2-difluorobutoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,2-difluorobutoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,2-difluorobutoxy)-2-methylpropan-2-ol is CCC(F)(F)COCC(C)(C)O.
What is the InChIKey of 1-(2,2-difluorobutoxy)-2-methylpropan-2-ol?
The InChIKey is AVCQVUZUVCMKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O2/c1-4-8(9,10)6-12-5-7(2,3)11/h11H,4-6H2,1-3H3.
What are the key properties of 1-(2,2-difluorobutoxy)-2-methylpropan-2-ol?
1-(2,2-difluorobutoxy)-2-methylpropan-2-ol has a molecular weight of 182.21 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorobutoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 88583150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).