2-fluoro-5-hydroxyundecan-6-one

C11H21FO2 — CID 121216637

IUPAC2-fluoro-5-hydroxyundecan-6-one
SMILESCCCCCC(=O)C(O)CCC(C)F
InChIInChI=1S/C11H21FO2/c1-3-4-5-6-10(13)11(14)8-7-9(2)12/h9,11,14H,3-8H2,1-2H3
InChIKeyHHLKNYNPYFTYGU-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.63
Rot. Bonds8

About 2-fluoro-5-hydroxyundecan-6-one

2-fluoro-5-hydroxyundecan-6-one (PubChem CID 121216637) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-fluoro-5-hydroxyundecan-6-one.

Molecular Properties

Compound Name2-fluoro-5-hydroxyundecan-6-one
PubChem CID121216637
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name2-fluoro-5-hydroxyundecan-6-one
SMILESCCCCCC(=O)C(O)CCC(C)F
InChIInChI=1S/C11H21FO2/c1-3-4-5-6-10(13)11(14)8-7-9(2)12/h9,11,14H,3-8H2,1-2H3
InChIKeyHHLKNYNPYFTYGU-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(9S)-9-hydroxyhexadecan-8-one
CID 97045447
15-hydroxyoctacosan-14-one
CID 11270216
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
(11S)-11-hydroxyicosan-10-one
CID 98053519
1,5-dihydroxyhexacosan-4-one
CID 141328006
2-hydroxyicosan-3-one
CID 57023276
(2-hydroxy-3-oxooctyl)-trimethylazanium
CID 23183496
(2-hydroxy-3-oxoicosyl)-dimethyl-octadecylazanium
CID 87530865
25-methylnonatetracontane-24,26-dione
CID 173069947
2-methylhexadecan-3-one
CID 58030381
sodium;hydride;2-hydroxytetradecan-3-one
CID 173221768
3-hydroxy-1-phenylnonan-4-one
CID 135039078

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-hydroxyundecan-6-one?
The IUPAC name of 2-fluoro-5-hydroxyundecan-6-one (CID 121216637) is 2-fluoro-5-hydroxyundecan-6-one.
What is the SMILES notation for 2-fluoro-5-hydroxyundecan-6-one?
The canonical SMILES for 2-fluoro-5-hydroxyundecan-6-one is CCCCCC(=O)C(O)CCC(C)F.
What is the InChIKey of 2-fluoro-5-hydroxyundecan-6-one?
The InChIKey is HHLKNYNPYFTYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO2/c1-3-4-5-6-10(13)11(14)8-7-9(2)12/h9,11,14H,3-8H2,1-2H3.
What are the key properties of 2-fluoro-5-hydroxyundecan-6-one?
2-fluoro-5-hydroxyundecan-6-one has a molecular weight of 204.28 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-hydroxyundecan-6-one is sourced from PubChem (CID 121216637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).