(6-fluoro-3-hydroxyhexyl) pentanoate

C11H21FO3 — CID 174297519

IUPAC(6-fluoro-3-hydroxyhexyl) pentanoate
SMILESCCCCC(=O)OCCC(O)CCCF
InChIInChI=1S/C11H21FO3/c1-2-3-6-11(14)15-9-7-10(13)5-4-8-12/h10,13H,2-9H2,1H3
InChIKeyQSUYAUMCDFARHH-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.22
Rot. Bonds9

About (6-fluoro-3-hydroxyhexyl) pentanoate

(6-fluoro-3-hydroxyhexyl) pentanoate (PubChem CID 174297519) has the molecular formula C11H21FO3 and a molecular weight of 220.28 g/mol. Its IUPAC name is (6-fluoro-3-hydroxyhexyl) pentanoate.

Molecular Properties

Compound Name(6-fluoro-3-hydroxyhexyl) pentanoate
PubChem CID174297519
Molecular FormulaC11H21FO3
Molecular Weight220.28 g/mol
Exact Mass220.15
IUPAC Name(6-fluoro-3-hydroxyhexyl) pentanoate
SMILESCCCCC(=O)OCCC(O)CCCF
InChIInChI=1S/C11H21FO3/c1-2-3-6-11(14)15-9-7-10(13)5-4-8-12/h10,13H,2-9H2,1H3
InChIKeyQSUYAUMCDFARHH-UHFFFAOYSA-N
XLogP2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxyheptyl octanoate
CID 54307243
octahexacontyl 12-hydroxyoctadecanoate
CID 177467118
6-(10-hydroxyoctadecanoyloxy)hexyl 10-hydroxyoctadecanoate
CID 87579324
[(12R)-12-hydroxyoctadecyl] docosanoate
CID 98048529
dotriacontyl 12-hydroxyoctadecanoate
CID 139650763
12-hydroxyoctadecyl octadecanoate
CID 87534486
octadecyl 13-hydroxyoctadecanoate
CID 139650754
2-(15-hydroxyoctadecanoyloxy)ethyl 15-hydroxyoctadecanoate
CID 166706766
ethyl (5R)-5-hydroxynonanoate
CID 118890324
3,3-dihydroxypropyl octanoate
CID 57097906
6-(12-hydroxyoctadecanoyloxy)hexyl 12-methyloctadecanoate
CID 118488271
ethyl 5-hydroxyhexadecanoate
CID 171612820

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-hydroxyhexyl) pentanoate?
The IUPAC name of (6-fluoro-3-hydroxyhexyl) pentanoate (CID 174297519) is (6-fluoro-3-hydroxyhexyl) pentanoate.
What is the SMILES notation for (6-fluoro-3-hydroxyhexyl) pentanoate?
The canonical SMILES for (6-fluoro-3-hydroxyhexyl) pentanoate is CCCCC(=O)OCCC(O)CCCF.
What is the InChIKey of (6-fluoro-3-hydroxyhexyl) pentanoate?
The InChIKey is QSUYAUMCDFARHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO3/c1-2-3-6-11(14)15-9-7-10(13)5-4-8-12/h10,13H,2-9H2,1H3.
What are the key properties of (6-fluoro-3-hydroxyhexyl) pentanoate?
(6-fluoro-3-hydroxyhexyl) pentanoate has a molecular weight of 220.28 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-hydroxyhexyl) pentanoate is sourced from PubChem (CID 174297519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).