1,1-difluoro-2,5-dimethylhexan-2-ol

C8H16F2O — CID 80605590

IUPAC1,1-difluoro-2,5-dimethylhexan-2-ol
SMILESCC(C)CCC(C)(O)C(F)F
InChIInChI=1S/C8H16F2O/c1-6(2)4-5-8(3,11)7(9)10/h6-7,11H,4-5H2,1-3H3
InChIKeyLYLJLXFJGMSWEV-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.44
Rot. Bonds4

About 1,1-difluoro-2,5-dimethylhexan-2-ol

1,1-difluoro-2,5-dimethylhexan-2-ol (PubChem CID 80605590) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 1,1-difluoro-2,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2,5-dimethylhexan-2-ol
PubChem CID80605590
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name1,1-difluoro-2,5-dimethylhexan-2-ol
SMILESCC(C)CCC(C)(O)C(F)F
InChIInChI=1S/C8H16F2O/c1-6(2)4-5-8(3,11)7(9)10/h6-7,11H,4-5H2,1-3H3
InChIKeyLYLJLXFJGMSWEV-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,5-dimethylhexan-2-ol?
The IUPAC name of 1,1-difluoro-2,5-dimethylhexan-2-ol (CID 80605590) is 1,1-difluoro-2,5-dimethylhexan-2-ol.
What is the SMILES notation for 1,1-difluoro-2,5-dimethylhexan-2-ol?
The canonical SMILES for 1,1-difluoro-2,5-dimethylhexan-2-ol is CC(C)CCC(C)(O)C(F)F.
What is the InChIKey of 1,1-difluoro-2,5-dimethylhexan-2-ol?
The InChIKey is LYLJLXFJGMSWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-6(2)4-5-8(3,11)7(9)10/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-2,5-dimethylhexan-2-ol?
1,1-difluoro-2,5-dimethylhexan-2-ol has a molecular weight of 166.21 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,5-dimethylhexan-2-ol is sourced from PubChem (CID 80605590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).