1,1-difluoro-5,5-dimethylhexane-2,4-diol

C8H16F2O2 — CID 89226726

IUPAC1,1-difluoro-5,5-dimethylhexane-2,4-diol
SMILESCC(C)(C)C(O)CC(O)C(F)F
InChIInChI=1S/C8H16F2O2/c1-8(2,3)6(12)4-5(11)7(9)10/h5-7,11-12H,4H2,1-3H3
InChIKeyQCHOHRJHGLKARN-UHFFFAOYSA-N
MW182.21 g/mol
LogP1.41
Rot. Bonds3

About 1,1-difluoro-5,5-dimethylhexane-2,4-diol

1,1-difluoro-5,5-dimethylhexane-2,4-diol (PubChem CID 89226726) has the molecular formula C8H16F2O2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 1,1-difluoro-5,5-dimethylhexane-2,4-diol.

Molecular Properties

Compound Name1,1-difluoro-5,5-dimethylhexane-2,4-diol
PubChem CID89226726
Molecular FormulaC8H16F2O2
Molecular Weight182.21 g/mol
Exact Mass182.11
IUPAC Name1,1-difluoro-5,5-dimethylhexane-2,4-diol
SMILESCC(C)(C)C(O)CC(O)C(F)F
InChIInChI=1S/C8H16F2O2/c1-8(2,3)6(12)4-5(11)7(9)10/h5-7,11-12H,4H2,1-3H3
InChIKeyQCHOHRJHGLKARN-UHFFFAOYSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5,5-dimethylhexane-2,4-diol?
The IUPAC name of 1,1-difluoro-5,5-dimethylhexane-2,4-diol (CID 89226726) is 1,1-difluoro-5,5-dimethylhexane-2,4-diol.
What is the SMILES notation for 1,1-difluoro-5,5-dimethylhexane-2,4-diol?
The canonical SMILES for 1,1-difluoro-5,5-dimethylhexane-2,4-diol is CC(C)(C)C(O)CC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-5,5-dimethylhexane-2,4-diol?
The InChIKey is QCHOHRJHGLKARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O2/c1-8(2,3)6(12)4-5(11)7(9)10/h5-7,11-12H,4H2,1-3H3.
What are the key properties of 1,1-difluoro-5,5-dimethylhexane-2,4-diol?
1,1-difluoro-5,5-dimethylhexane-2,4-diol has a molecular weight of 182.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5,5-dimethylhexane-2,4-diol is sourced from PubChem (CID 89226726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).