6,6-difluoro-4-propan-2-yloxan-3-ol

C8H14F2O2 — CID 177300325

IUPAC6,6-difluoro-4-propan-2-yloxan-3-ol
SMILESCC(C)C1CC(F)(F)OCC1O
InChIInChI=1S/C8H14F2O2/c1-5(2)6-3-8(9,10)12-4-7(6)11/h5-7,11H,3-4H2,1-2H3
InChIKeyOJDAJFXKFPWDMF-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.63
Rot. Bonds1

About 6,6-difluoro-4-propan-2-yloxan-3-ol

6,6-difluoro-4-propan-2-yloxan-3-ol (PubChem CID 177300325) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 6,6-difluoro-4-propan-2-yloxan-3-ol.

Molecular Properties

Compound Name6,6-difluoro-4-propan-2-yloxan-3-ol
PubChem CID177300325
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name6,6-difluoro-4-propan-2-yloxan-3-ol
SMILESCC(C)C1CC(F)(F)OCC1O
InChIInChI=1S/C8H14F2O2/c1-5(2)6-3-8(9,10)12-4-7(6)11/h5-7,11H,3-4H2,1-2H3
InChIKeyOJDAJFXKFPWDMF-UHFFFAOYSA-N
XLogP1.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-4-propan-2-yloxan-3-ol?
The IUPAC name of 6,6-difluoro-4-propan-2-yloxan-3-ol (CID 177300325) is 6,6-difluoro-4-propan-2-yloxan-3-ol.
What is the SMILES notation for 6,6-difluoro-4-propan-2-yloxan-3-ol?
The canonical SMILES for 6,6-difluoro-4-propan-2-yloxan-3-ol is CC(C)C1CC(F)(F)OCC1O.
What is the InChIKey of 6,6-difluoro-4-propan-2-yloxan-3-ol?
The InChIKey is OJDAJFXKFPWDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-5(2)6-3-8(9,10)12-4-7(6)11/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 6,6-difluoro-4-propan-2-yloxan-3-ol?
6,6-difluoro-4-propan-2-yloxan-3-ol has a molecular weight of 180.19 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-4-propan-2-yloxan-3-ol is sourced from PubChem (CID 177300325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).