5-fluoro-2,5-dimethylhexan-2-ol

C8H17FO — CID 84649239

IUPAC5-fluoro-2,5-dimethylhexan-2-ol
SMILESCC(C)(O)CCC(C)(C)F
InChIInChI=1S/C8H17FO/c1-7(2,9)5-6-8(3,4)10/h10H,5-6H2,1-4H3
InChIKeyFQHJNWGICGSNFP-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.29
Rot. Bonds3

About 5-fluoro-2,5-dimethylhexan-2-ol

5-fluoro-2,5-dimethylhexan-2-ol (PubChem CID 84649239) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 5-fluoro-2,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name5-fluoro-2,5-dimethylhexan-2-ol
PubChem CID84649239
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name5-fluoro-2,5-dimethylhexan-2-ol
SMILESCC(C)(O)CCC(C)(C)F
InChIInChI=1S/C8H17FO/c1-7(2,9)5-6-8(3,4)10/h10H,5-6H2,1-4H3
InChIKeyFQHJNWGICGSNFP-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,5-dimethylhexan-2-ol?
The IUPAC name of 5-fluoro-2,5-dimethylhexan-2-ol (CID 84649239) is 5-fluoro-2,5-dimethylhexan-2-ol.
What is the SMILES notation for 5-fluoro-2,5-dimethylhexan-2-ol?
The canonical SMILES for 5-fluoro-2,5-dimethylhexan-2-ol is CC(C)(O)CCC(C)(C)F.
What is the InChIKey of 5-fluoro-2,5-dimethylhexan-2-ol?
The InChIKey is FQHJNWGICGSNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-7(2,9)5-6-8(3,4)10/h10H,5-6H2,1-4H3.
What are the key properties of 5-fluoro-2,5-dimethylhexan-2-ol?
5-fluoro-2,5-dimethylhexan-2-ol has a molecular weight of 148.22 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 5-fluoro-2,5-dimethylhexan-2-ol is sourced from PubChem (CID 84649239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).