1-fluoro-5-methylhexane-2,3-diol

C7H15FO2 — CID 59547094

IUPAC1-fluoro-5-methylhexane-2,3-diol
SMILESCC(C)CC(O)C(O)CF
InChIInChI=1S/C7H15FO2/c1-5(2)3-6(9)7(10)4-8/h5-7,9-10H,3-4H2,1-2H3
InChIKeyZOBJPAUEYIIEOW-UHFFFAOYSA-N
MW150.19 g/mol
LogP0.72
Rot. Bonds4

About 1-fluoro-5-methylhexane-2,3-diol

1-fluoro-5-methylhexane-2,3-diol (PubChem CID 59547094) has the molecular formula C7H15FO2 and a molecular weight of 150.19 g/mol. Its IUPAC name is 1-fluoro-5-methylhexane-2,3-diol.

Molecular Properties

Compound Name1-fluoro-5-methylhexane-2,3-diol
PubChem CID59547094
Molecular FormulaC7H15FO2
Molecular Weight150.19 g/mol
Exact Mass150.11
IUPAC Name1-fluoro-5-methylhexane-2,3-diol
SMILESCC(C)CC(O)C(O)CF
InChIInChI=1S/C7H15FO2/c1-5(2)3-6(9)7(10)4-8/h5-7,9-10H,3-4H2,1-2H3
InChIKeyZOBJPAUEYIIEOW-UHFFFAOYSA-N
XLogP0.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methylhexane-2,3-diol?
The IUPAC name of 1-fluoro-5-methylhexane-2,3-diol (CID 59547094) is 1-fluoro-5-methylhexane-2,3-diol.
What is the SMILES notation for 1-fluoro-5-methylhexane-2,3-diol?
The canonical SMILES for 1-fluoro-5-methylhexane-2,3-diol is CC(C)CC(O)C(O)CF.
What is the InChIKey of 1-fluoro-5-methylhexane-2,3-diol?
The InChIKey is ZOBJPAUEYIIEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2/c1-5(2)3-6(9)7(10)4-8/h5-7,9-10H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-5-methylhexane-2,3-diol?
1-fluoro-5-methylhexane-2,3-diol has a molecular weight of 150.19 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methylhexane-2,3-diol is sourced from PubChem (CID 59547094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).