(3S)-5-fluoro-1,3,4-trihydroxypentan-2-one

C5H9FO4 — CID 130737250

IUPAC(3S)-5-fluoro-1,3,4-trihydroxypentan-2-one
SMILESO=C(CO)[C@@H](O)C(O)CF
InChIInChI=1S/C5H9FO4/c6-1-3(8)5(10)4(9)2-7/h3,5,7-8,10H,1-2H2/t3?,5-/m0/s1
InChIKeyDZPAPJMTQBXJAM-PVPKANODSA-N
MW152.12 g/mol
LogP-1.76
Rot. Bonds4

About (3S)-5-fluoro-1,3,4-trihydroxypentan-2-one

(3S)-5-fluoro-1,3,4-trihydroxypentan-2-one (PubChem CID 130737250) has the molecular formula C5H9FO4 and a molecular weight of 152.12 g/mol. Its IUPAC name is (3S)-5-fluoro-1,3,4-trihydroxypentan-2-one.

Molecular Properties

Compound Name(3S)-5-fluoro-1,3,4-trihydroxypentan-2-one
PubChem CID130737250
Molecular FormulaC5H9FO4
Molecular Weight152.12 g/mol
Exact Mass152.05
IUPAC Name(3S)-5-fluoro-1,3,4-trihydroxypentan-2-one
SMILESO=C(CO)[C@@H](O)C(O)CF
InChIInChI=1S/C5H9FO4/c6-1-3(8)5(10)4(9)2-7/h3,5,7-8,10H,1-2H2/t3?,5-/m0/s1
InChIKeyDZPAPJMTQBXJAM-PVPKANODSA-N
XLogP-1.76
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 118855885
(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 90469716
phosphane;1,3,4,5-tetrahydroxypentan-2-one
CID 170344505
(3R,4R)-1,3,4-trihydroxyhexan-2-one
CID 101111963
3,4,6-trihydroxy-5-oxohexanenitrile
CID 85320707
(3R,4S)-3,4,6-trihydroxy-5-oxohexanenitrile
CID 10931716
(3S,4R,5R)-1,3,4,5,6-pentahydroxy(2,5-13C2)hexan-2-one
CID 131873541
1,3,4,5,6-pentahydroxyhexan-2-one
CID 174437869
(3R,4S)-1,3,4-trihydroxypentan-2-one
CID 101111958
iron(3+);bis((3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one)
CID 157392156
azane;1,3,4,5,6-pentahydroxyhexan-2-one
CID 22315777
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 87261503

Frequently Asked Questions

What is the IUPAC name of (3S)-5-fluoro-1,3,4-trihydroxypentan-2-one?
The IUPAC name of (3S)-5-fluoro-1,3,4-trihydroxypentan-2-one (CID 130737250) is (3S)-5-fluoro-1,3,4-trihydroxypentan-2-one.
What is the SMILES notation for (3S)-5-fluoro-1,3,4-trihydroxypentan-2-one?
The canonical SMILES for (3S)-5-fluoro-1,3,4-trihydroxypentan-2-one is O=C(CO)[C@@H](O)C(O)CF.
What is the InChIKey of (3S)-5-fluoro-1,3,4-trihydroxypentan-2-one?
The InChIKey is DZPAPJMTQBXJAM-PVPKANODSA-N. The full InChI is InChI=1S/C5H9FO4/c6-1-3(8)5(10)4(9)2-7/h3,5,7-8,10H,1-2H2/t3?,5-/m0/s1.
What are the key properties of (3S)-5-fluoro-1,3,4-trihydroxypentan-2-one?
(3S)-5-fluoro-1,3,4-trihydroxypentan-2-one has a molecular weight of 152.12 g/mol, XLogP of -1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-fluoro-1,3,4-trihydroxypentan-2-one is sourced from PubChem (CID 130737250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).