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

C6H13FO2 — CID 14685332

IUPAC(2S,3R)-3-fluorohexane-1,2-diol
SMILESCCC[C@@H](F)[C@@H](O)CO
InChIInChI=1S/C6H13FO2/c1-2-3-5(7)6(9)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyXLBRFPJBQFDNCU-RITPCOANSA-N
MW136.17 g/mol
LogP0.48
Rot. Bonds4

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

(2S,3R)-3-fluorohexane-1,2-diol (PubChem CID 14685332) has the molecular formula C6H13FO2 and a molecular weight of 136.17 g/mol. Its IUPAC name is (2S,3R)-3-fluorohexane-1,2-diol.

Molecular Properties

Compound Name(2S,3R)-3-fluorohexane-1,2-diol
PubChem CID14685332
Molecular FormulaC6H13FO2
Molecular Weight136.17 g/mol
Exact Mass136.09
IUPAC Name(2S,3R)-3-fluorohexane-1,2-diol
SMILESCCC[C@@H](F)[C@@H](O)CO
InChIInChI=1S/C6H13FO2/c1-2-3-5(7)6(9)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyXLBRFPJBQFDNCU-RITPCOANSA-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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Related Compounds

1,2-Pentanediol
CID 93000
1,2-Hexanediol
CID 94335
1,2,3-Hexanetriol
CID 2724429
Hexane-3,4-diol
CID 102504
(2s)-Hexane-1,2-Diol
CID 7017948
Hexane-1,3,4-triol
CID 13023573
(2R)-hexane-1,2-diol
CID 7058118
(2S)-pentane-1,2-diol
CID 6950523
2,3-Hexanediol
CID 519963
(2R,3S)-Heptane-2,3-diol
CID 13293569
1,2,3-Hexanetriol, (2R,3R)-
CID 6950290
2,3-Heptanediol
CID 242927

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-fluorohexane-1,2-diol?
The IUPAC name of (2S,3R)-3-fluorohexane-1,2-diol (CID 14685332) is (2S,3R)-3-fluorohexane-1,2-diol.
What is the SMILES notation for (2S,3R)-3-fluorohexane-1,2-diol?
The canonical SMILES for (2S,3R)-3-fluorohexane-1,2-diol is CCC[C@@H](F)[C@@H](O)CO.
What is the InChIKey of (2S,3R)-3-fluorohexane-1,2-diol?
The InChIKey is XLBRFPJBQFDNCU-RITPCOANSA-N. The full InChI is InChI=1S/C6H13FO2/c1-2-3-5(7)6(9)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-3-fluorohexane-1,2-diol?
(2S,3R)-3-fluorohexane-1,2-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)-3-fluorohexane-1,2-diol is sourced from PubChem (CID 14685332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).