(2S,3R)-2-fluorohexane-1,3-diol

C6H13FO2 — CID 131132530

IUPAC(2S,3R)-2-fluorohexane-1,3-diol
SMILESCCC[C@@H](O)[C@@H](F)CO
InChIInChI=1S/C6H13FO2/c1-2-3-6(9)5(7)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyPHFJEXSCNVJHIC-NTSWFWBYSA-N
MW136.17 g/mol
LogP0.48
Rot. Bonds4

About (2S,3R)-2-fluorohexane-1,3-diol

(2S,3R)-2-fluorohexane-1,3-diol (PubChem CID 131132530) has the molecular formula C6H13FO2 and a molecular weight of 136.17 g/mol. Its IUPAC name is (2S,3R)-2-fluorohexane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-fluorohexane-1,3-diol
PubChem CID131132530
Molecular FormulaC6H13FO2
Molecular Weight136.17 g/mol
Exact Mass136.09
IUPAC Name(2S,3R)-2-fluorohexane-1,3-diol
SMILESCCC[C@@H](O)[C@@H](F)CO
InChIInChI=1S/C6H13FO2/c1-2-3-6(9)5(7)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyPHFJEXSCNVJHIC-NTSWFWBYSA-N
XLogP0.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-fluorohexane-1,3-diol?
The IUPAC name of (2S,3R)-2-fluorohexane-1,3-diol (CID 131132530) is (2S,3R)-2-fluorohexane-1,3-diol.
What is the SMILES notation for (2S,3R)-2-fluorohexane-1,3-diol?
The canonical SMILES for (2S,3R)-2-fluorohexane-1,3-diol is CCC[C@@H](O)[C@@H](F)CO.
What is the InChIKey of (2S,3R)-2-fluorohexane-1,3-diol?
The InChIKey is PHFJEXSCNVJHIC-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13FO2/c1-2-3-6(9)5(7)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (2S,3R)-2-fluorohexane-1,3-diol?
(2S,3R)-2-fluorohexane-1,3-diol has a molecular weight of 136.17 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-fluorohexane-1,3-diol is sourced from PubChem (CID 131132530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).