2,2-difluoro-4,5-dimethylhexan-3-ol

C8H16F2O — CID 118600658

IUPAC2,2-difluoro-4,5-dimethylhexan-3-ol
SMILESCC(C)C(C)C(O)C(C)(F)F
InChIInChI=1S/C8H16F2O/c1-5(2)6(3)7(11)8(4,9)10/h5-7,11H,1-4H3
InChIKeyRJZDIRATKFKZLE-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.29
Rot. Bonds3

About 2,2-difluoro-4,5-dimethylhexan-3-ol

2,2-difluoro-4,5-dimethylhexan-3-ol (PubChem CID 118600658) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 2,2-difluoro-4,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name2,2-difluoro-4,5-dimethylhexan-3-ol
PubChem CID118600658
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name2,2-difluoro-4,5-dimethylhexan-3-ol
SMILESCC(C)C(C)C(O)C(C)(F)F
InChIInChI=1S/C8H16F2O/c1-5(2)6(3)7(11)8(4,9)10/h5-7,11H,1-4H3
InChIKeyRJZDIRATKFKZLE-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,5-dimethylhexan-3-ol?
The IUPAC name of 2,2-difluoro-4,5-dimethylhexan-3-ol (CID 118600658) is 2,2-difluoro-4,5-dimethylhexan-3-ol.
What is the SMILES notation for 2,2-difluoro-4,5-dimethylhexan-3-ol?
The canonical SMILES for 2,2-difluoro-4,5-dimethylhexan-3-ol is CC(C)C(C)C(O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-4,5-dimethylhexan-3-ol?
The InChIKey is RJZDIRATKFKZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-5(2)6(3)7(11)8(4,9)10/h5-7,11H,1-4H3.
What are the key properties of 2,2-difluoro-4,5-dimethylhexan-3-ol?
2,2-difluoro-4,5-dimethylhexan-3-ol has a molecular weight of 166.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,5-dimethylhexan-3-ol is sourced from PubChem (CID 118600658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).